N-(6-cyano-2-pyridinyl)-1-(4-fluorophenyl)-2,5-dimethylimidazole-4-carboxamide

C18H14FN5O — CID 71717735

IUPACN-(6-cyano-2-pyridinyl)-1-(4-fluorophenyl)-2,5-dimethylimidazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cccc(C#N)n2)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C18H14FN5O/c1-11-17(18(25)23-16-5-3-4-14(10-20)22-16)21-12(2)24(11)15-8-6-13(19)7-9-15/h3-9H,1-2H3,(H,22,23,25)
InChIKeyVMKJBNMCQMEXND-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.15
Rot. Bonds3

About N-(6-cyano-2-pyridinyl)-1-(4-fluorophenyl)-2,5-dimethylimidazole-4-carboxamide

N-(6-cyano-2-pyridinyl)-1-(4-fluorophenyl)-2,5-dimethylimidazole-4-carboxamide (PubChem CID 71717735) has the molecular formula C18H14FN5O and a molecular weight of 335.34 g/mol. Its IUPAC name is N-(6-cyano-2-pyridinyl)-1-(4-fluorophenyl)-2,5-dimethylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-cyano-2-pyridinyl)-1-(4-fluorophenyl)-2,5-dimethylimidazole-4-carboxamide
PubChem CID71717735
Molecular FormulaC18H14FN5O
Molecular Weight335.34 g/mol
Exact Mass335.12
IUPAC NameN-(6-cyano-2-pyridinyl)-1-(4-fluorophenyl)-2,5-dimethylimidazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cccc(C#N)n2)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C18H14FN5O/c1-11-17(18(25)23-16-5-3-4-14(10-20)22-16)21-12(2)24(11)15-8-6-13(19)7-9-15/h3-9H,1-2H3,(H,22,23,25)
InChIKeyVMKJBNMCQMEXND-UHFFFAOYSA-N
XLogP3.15
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-2,5-dimethyl-N-(6-methylpyridin-2-yl)-1H-imidazole-4-carboxamide
CID 71580330
N-(2-chloropyrimidin-4-yl)-2,5-dimethyl-1-phenyl-1H-imidazole-4-carboxamide
CID 71580550
2-ethyl-9-(2-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
CID 7599528
1-ethyl-3-methyl-5H-imidazo[1,5-a]quinoxalin-4-one
CID 15076567
4-[4-[(3R)-3-aminopiperidine-1-carbonyl]-5-methyl-1-(4-methylphenyl)imidazol-2-yl]benzonitrile
CID 118626664
9-(4-fluorophenyl)-2-(2-methylpropyl)-8-oxo-7H-purine-6-carboxamide
CID 5310314
1-(3,4-dichlorophenyl)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)imidazole-4-carboxamide
CID 71580331
1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)imidazole-4-carboxamide
CID 71580332
2,5-dimethyl-N-(6-methylpyridin-2-yl)-1-[4-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 71580334
1-(4-chlorophenyl)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)imidazole-4-carboxamide
CID 71580442
1-(4-fluorophenyl)-N-(6-fluoro-2-pyridinyl)-2,5-dimethylimidazole-4-carboxamide
CID 71580443
N-(5-fluoro-6-methyl-2-pyridinyl)-1-(4-fluorophenyl)-2,5-dimethylimidazole-4-carboxamide
CID 71717116

Frequently Asked Questions

What is the IUPAC name of N-(6-cyano-2-pyridinyl)-1-(4-fluorophenyl)-2,5-dimethylimidazole-4-carboxamide?
The IUPAC name of N-(6-cyano-2-pyridinyl)-1-(4-fluorophenyl)-2,5-dimethylimidazole-4-carboxamide (CID 71717735) is N-(6-cyano-2-pyridinyl)-1-(4-fluorophenyl)-2,5-dimethylimidazole-4-carboxamide.
What is the SMILES notation for N-(6-cyano-2-pyridinyl)-1-(4-fluorophenyl)-2,5-dimethylimidazole-4-carboxamide?
The canonical SMILES for N-(6-cyano-2-pyridinyl)-1-(4-fluorophenyl)-2,5-dimethylimidazole-4-carboxamide is Cc1nc(C(=O)Nc2cccc(C#N)n2)c(C)n1-c1ccc(F)cc1.
What is the InChIKey of N-(6-cyano-2-pyridinyl)-1-(4-fluorophenyl)-2,5-dimethylimidazole-4-carboxamide?
The InChIKey is VMKJBNMCQMEXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O/c1-11-17(18(25)23-16-5-3-4-14(10-20)22-16)21-12(2)24(11)15-8-6-13(19)7-9-15/h3-9H,1-2H3,(H,22,23,25).
What are the key properties of N-(6-cyano-2-pyridinyl)-1-(4-fluorophenyl)-2,5-dimethylimidazole-4-carboxamide?
N-(6-cyano-2-pyridinyl)-1-(4-fluorophenyl)-2,5-dimethylimidazole-4-carboxamide has a molecular weight of 335.34 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyano-2-pyridinyl)-1-(4-fluorophenyl)-2,5-dimethylimidazole-4-carboxamide is sourced from PubChem (CID 71717735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).