4-[4-[[4-(4-cyanophenyl)-2-pyridinyl]carbamoyl]phenyl]-1H-imidazole-5-carboxamide

C23H16N6O2 — CID 162767197

IUPAC4-[4-[[4-(4-cyanophenyl)-2-pyridinyl]carbamoyl]phenyl]-1H-imidazole-5-carboxamide
SMILESN#Cc1ccc(-c2ccnc(NC(=O)c3ccc(-c4nc[nH]c4C(N)=O)cc3)c2)cc1
InChIInChI=1S/C23H16N6O2/c24-12-14-1-3-15(4-2-14)18-9-10-26-19(11-18)29-23(31)17-7-5-16(6-8-17)20-21(22(25)30)28-13-27-20/h1-11,13H,(H2,25,30)(H,27,28)(H,26,29,31)
InChIKeyLTEBMJJRVXUZDG-UHFFFAOYSA-N
MW408.42 g/mol
LogP3.36
Rot. Bonds5

About 4-[4-[[4-(4-cyanophenyl)-2-pyridinyl]carbamoyl]phenyl]-1H-imidazole-5-carboxamide

4-[4-[[4-(4-cyanophenyl)-2-pyridinyl]carbamoyl]phenyl]-1H-imidazole-5-carboxamide (PubChem CID 162767197) has the molecular formula C23H16N6O2 and a molecular weight of 408.42 g/mol. Its IUPAC name is 4-[4-[[4-(4-cyanophenyl)-2-pyridinyl]carbamoyl]phenyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-[4-[[4-(4-cyanophenyl)-2-pyridinyl]carbamoyl]phenyl]-1H-imidazole-5-carboxamide
PubChem CID162767197
Molecular FormulaC23H16N6O2
Molecular Weight408.42 g/mol
Exact Mass408.13
IUPAC Name4-[4-[[4-(4-cyanophenyl)-2-pyridinyl]carbamoyl]phenyl]-1H-imidazole-5-carboxamide
SMILESN#Cc1ccc(-c2ccnc(NC(=O)c3ccc(-c4nc[nH]c4C(N)=O)cc3)c2)cc1
InChIInChI=1S/C23H16N6O2/c24-12-14-1-3-15(4-2-14)18-9-10-26-19(11-18)29-23(31)17-7-5-16(6-8-17)20-21(22(25)30)28-13-27-20/h1-11,13H,(H2,25,30)(H,27,28)(H,26,29,31)
InChIKeyLTEBMJJRVXUZDG-UHFFFAOYSA-N
XLogP3.36
TPSA137.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[4-[[4-(4-cyanophenyl)-2-pyridinyl]carbamoyl]phenyl]-1H-imidazole-5-carboxamide with MolForge

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Related Compounds

N-[4-(4-cyanophenyl)-2-pyridinyl]benzamide
CID 155673932
3-amino-2-(1-but-2-ynoylpiperidin-2-yl)-5-[4-[[4-(4-cyanophenyl)-2-pyridinyl]carbamoyl]phenyl]imidazole-4-carboxamide
CID 155307725
4-cyano-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide
CID 11536964
4-cyano-N-(1,2,4-triazin-3-yl)benzamide
CID 113242350
N-(4-cyanophenyl)-2-hydrazinylpyridine-4-carboxamide
CID 62249045
4-cyano-N-(1,2-oxazol-3-yl)benzamide
CID 60660035
[2-fluoro-4-[[4-(4-fluorophenyl)-2-pyridinyl]carbamoyl]phenyl]boronic acid
CID 155776448
4-(4-cyanophenyl)-N-methylbenzamide
CID 130318851
4-fluoro-N-[4-[2-(4-hydroxypiperidin-1-yl)-4-pyridinyl]-2-pyridinyl]benzamide
CID 175939067
N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]benzamide
CID 67153787
4-(5-cyano-6-oxo-1H-pyrimidin-4-yl)-N-ethylbenzamide
CID 135516680
4-benzamido-1H-imidazole-5-carboxamide
CID 13223230

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-(4-cyanophenyl)-2-pyridinyl]carbamoyl]phenyl]-1H-imidazole-5-carboxamide?
The IUPAC name of 4-[4-[[4-(4-cyanophenyl)-2-pyridinyl]carbamoyl]phenyl]-1H-imidazole-5-carboxamide (CID 162767197) is 4-[4-[[4-(4-cyanophenyl)-2-pyridinyl]carbamoyl]phenyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-[4-[[4-(4-cyanophenyl)-2-pyridinyl]carbamoyl]phenyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-[4-[[4-(4-cyanophenyl)-2-pyridinyl]carbamoyl]phenyl]-1H-imidazole-5-carboxamide is N#Cc1ccc(-c2ccnc(NC(=O)c3ccc(-c4nc[nH]c4C(N)=O)cc3)c2)cc1.
What is the InChIKey of 4-[4-[[4-(4-cyanophenyl)-2-pyridinyl]carbamoyl]phenyl]-1H-imidazole-5-carboxamide?
The InChIKey is LTEBMJJRVXUZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N6O2/c24-12-14-1-3-15(4-2-14)18-9-10-26-19(11-18)29-23(31)17-7-5-16(6-8-17)20-21(22(25)30)28-13-27-20/h1-11,13H,(H2,25,30)(H,27,28)(H,26,29,31).
What are the key properties of 4-[4-[[4-(4-cyanophenyl)-2-pyridinyl]carbamoyl]phenyl]-1H-imidazole-5-carboxamide?
4-[4-[[4-(4-cyanophenyl)-2-pyridinyl]carbamoyl]phenyl]-1H-imidazole-5-carboxamide has a molecular weight of 408.42 g/mol, XLogP of 3.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-(4-cyanophenyl)-2-pyridinyl]carbamoyl]phenyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 162767197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).