N-[3-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenyl]-1H-imidazole-2-carboxamide

C19H16N6O — CID 69272075

IUPACN-[3-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenyl]-1H-imidazole-2-carboxamide
SMILESCC1=C(C#N)C(c2cccc(NC(=O)c3ncc[nH]3)c2)C(C#N)=C(C)N1
InChIInChI=1S/C19H16N6O/c1-11-15(9-20)17(16(10-21)12(2)24-11)13-4-3-5-14(8-13)25-19(26)18-22-6-7-23-18/h3-8,17,24H,1-2H3,(H,22,23)(H,25,26)
InChIKeyXCGRGRUGDBUHCE-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.94
Rot. Bonds3

About N-[3-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenyl]-1H-imidazole-2-carboxamide

N-[3-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenyl]-1H-imidazole-2-carboxamide (PubChem CID 69272075) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is N-[3-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenyl]-1H-imidazole-2-carboxamide
PubChem CID69272075
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC NameN-[3-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenyl]-1H-imidazole-2-carboxamide
SMILESCC1=C(C#N)C(c2cccc(NC(=O)c3ncc[nH]3)c2)C(C#N)=C(C)N1
InChIInChI=1S/C19H16N6O/c1-11-15(9-20)17(16(10-21)12(2)24-11)13-4-3-5-14(8-13)25-19(26)18-22-6-7-23-18/h3-8,17,24H,1-2H3,(H,22,23)(H,25,26)
InChIKeyXCGRGRUGDBUHCE-UHFFFAOYSA-N
XLogP2.94
TPSA117.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenyl]-1H-imidazole-2-carboxamide with MolForge

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Related Compounds

1,3-bis[3-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenyl]urea
CID 87760393
N-(3-methylsulfonylphenyl)-1H-imidazole-2-carboxamide
CID 110466603
3-(3,5-dicyano-2-methyl-6-phenyl-1,4-dihydropyridin-4-yl)-N-methylbenzamide
CID 69041293
(4S)-5-cyano-2-methyl-6-methylsulfanyl-N-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxamide
CID 1121515
(4R)-5-cyano-2-methyl-6-methylsulfanyl-N-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxamide
CID 1121512
(4R)-5-cyano-2-methyl-6-methylsulfanyl-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide
CID 51380859
(4R)-5-cyano-2-methyl-N,4-diphenyl-6-(pyridin-4-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxamide
CID 1005366
6-[2-(3-bromoanilino)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide
CID 5112768
4-(3,4-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 2818311
N-(5-methyl-2-pyridinyl)-1H-imidazole-2-carboxamide
CID 110466431
(4R)-5-cyano-2-methyl-6-methylsulfanyl-4-(3-nitrophenyl)-N-phenyl-1,4-dihydropyridine-3-carboxamide
CID 1133919
4-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 87761682

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenyl]-1H-imidazole-2-carboxamide?
The IUPAC name of N-[3-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenyl]-1H-imidazole-2-carboxamide (CID 69272075) is N-[3-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[3-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[3-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenyl]-1H-imidazole-2-carboxamide is CC1=C(C#N)C(c2cccc(NC(=O)c3ncc[nH]3)c2)C(C#N)=C(C)N1.
What is the InChIKey of N-[3-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenyl]-1H-imidazole-2-carboxamide?
The InChIKey is XCGRGRUGDBUHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c1-11-15(9-20)17(16(10-21)12(2)24-11)13-4-3-5-14(8-13)25-19(26)18-22-6-7-23-18/h3-8,17,24H,1-2H3,(H,22,23)(H,25,26).
What are the key properties of N-[3-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenyl]-1H-imidazole-2-carboxamide?
N-[3-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenyl]-1H-imidazole-2-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 2.94, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 69272075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).