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4-(2-Pyridyl)-2,6-dimethyl-3,5-bis-N-(5-chloropyridin-2-yl)-carbamoyl-1,4-dihydropyridine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-(2-Pyridyl)-2,6-dimethyl-3,5-bis-N-(5-chloropyridin-2-yl)-carbamoyl-1,4-dihydropyridine
SpectraBase Compound ID 8bBcUk3DpXE
InChI InChI=1S/C24H20Cl2N6O2/c1-13-20(23(33)31-18-8-6-15(25)11-28-18)22(17-5-3-4-10-27-17)21(14(2)30-13)24(34)32-19-9-7-16(26)12-29-19/h3-12,22,30H,1-2H3,(H,28,31,33)(H,29,32,34)
InChIKey NGJWTRMDMMIALC-UHFFFAOYSA-N
Mol Weight 495.37 g/mol
Molecular Formula C24H20Cl2N6O2
Exact Mass 494.102479 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DeKTaxyjwI3
Name 4-(2-Pyridyl)-2,6-dimethyl-3,5-bis-N-(5-chloropyridin-2-yl)-carbamoyl-1,4-dihydropyridine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 494.102479306 u
Formula C24H20Cl2N6O2
InChI InChI=1S/C24H20Cl2N6O2/c1-13-20(23(33)31-18-8-6-15(25)11-28-18)22(17-5-3-4-10-27-17)21(14(2)30-13)24(34)32-19-9-7-16(26)12-29-19/h3-12,22,30H,1-2H3,(H,28,31,33)(H,29,32,34)
InChIKey NGJWTRMDMMIALC-UHFFFAOYSA-N
Molecular Weight 495.370 g/mol
SMILES C=1(C(C2=NC=CC=C2)C(C(NC2=NC=C(C=C2)Cl)=O)=C(NC1C)C)C(=O)NC1=CC=C(C=N1)Cl