N-(3H-benzimidazol-5-yl)-6-methylpyridine-2-carboxamide

C14H12N4O — CID 110462493

IUPACN-(3H-benzimidazol-5-yl)-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2ccc3nc[nH]c3c2)n1
InChIInChI=1S/C14H12N4O/c1-9-3-2-4-12(17-9)14(19)18-10-5-6-11-13(7-10)16-8-15-11/h2-8H,1H3,(H,15,16)(H,18,19)
InChIKeyZTGIYIADDSGGBG-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.52
Rot. Bonds2

About N-(3H-benzimidazol-5-yl)-6-methylpyridine-2-carboxamide

N-(3H-benzimidazol-5-yl)-6-methylpyridine-2-carboxamide (PubChem CID 110462493) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-6-methylpyridine-2-carboxamide
PubChem CID110462493
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC NameN-(3H-benzimidazol-5-yl)-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2ccc3nc[nH]c3c2)n1
InChIInChI=1S/C14H12N4O/c1-9-3-2-4-12(17-9)14(19)18-10-5-6-11-13(7-10)16-8-15-11/h2-8H,1H3,(H,15,16)(H,18,19)
InChIKeyZTGIYIADDSGGBG-UHFFFAOYSA-N
XLogP2.52
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-2-carboxamide
CID 32544873
N-(3H-benzimidazol-5-yl)carbamoyl chloride
CID 115194411
N-(3-chlorophenyl)-3H-benzimidazole-5-carboxamide
CID 18847548
1-(3H-benzimidazol-5-yl)-3-(2,6-dimethylphenyl)urea
CID 108886016
N-(3H-benzimidazol-5-yl)-2-fluorobenzamide
CID 110724315
N-(3-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 31698646
N-(3H-benzimidazol-5-yl)-4-(methylamino)benzamide
CID 115161081
N-(3H-benzimidazol-5-yl)-2-methyl-1H-imidazole-5-carboxamide
CID 110467519
N-(3-acetamidophenyl)-3H-benzimidazole-5-carboxamide
CID 27259059
N-(3H-benzimidazol-5-yl)-1H-pyrazole-4-carboxamide
CID 110466681
N-(3-formylphenyl)-6-methylpyridine-2-carboxamide
CID 106912611
N-(3H-benzimidazol-5-yl)pyridine-4-carboxamide;hydrochloride
CID 110778958

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-6-methylpyridine-2-carboxamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-6-methylpyridine-2-carboxamide (CID 110462493) is N-(3H-benzimidazol-5-yl)-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)Nc2ccc3nc[nH]c3c2)n1.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-6-methylpyridine-2-carboxamide?
The InChIKey is ZTGIYIADDSGGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-9-3-2-4-12(17-9)14(19)18-10-5-6-11-13(7-10)16-8-15-11/h2-8H,1H3,(H,15,16)(H,18,19).
What are the key properties of N-(3H-benzimidazol-5-yl)-6-methylpyridine-2-carboxamide?
N-(3H-benzimidazol-5-yl)-6-methylpyridine-2-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 110462493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).