2,3-dimethyl-5-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-4-carboxamide

C16H16N4O2 — CID 175073755

IUPAC2,3-dimethyl-5-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-4-carboxamide
SMILESCc1ncc(-n2c(=O)[nH]c3cccc(C)c32)c(C(N)=O)c1C
InChIInChI=1S/C16H16N4O2/c1-8-5-4-6-11-14(8)20(16(22)19-11)12-7-18-10(3)9(2)13(12)15(17)21/h4-7H,1-3H3,(H2,17,21)(H,19,22)
InChIKeyWLHGCNSPFIYEHP-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.74
Rot. Bonds2

About 2,3-dimethyl-5-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-4-carboxamide

2,3-dimethyl-5-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-4-carboxamide (PubChem CID 175073755) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2,3-dimethyl-5-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-5-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-4-carboxamide
PubChem CID175073755
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2,3-dimethyl-5-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-4-carboxamide
SMILESCc1ncc(-n2c(=O)[nH]c3cccc(C)c32)c(C(N)=O)c1C
InChIInChI=1S/C16H16N4O2/c1-8-5-4-6-11-14(8)20(16(22)19-11)12-7-18-10(3)9(2)13(12)15(17)21/h4-7H,1-3H3,(H2,17,21)(H,19,22)
InChIKeyWLHGCNSPFIYEHP-UHFFFAOYSA-N
XLogP1.74
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-(2-methylphenyl)-1H-benzimidazol-2-one
CID 117209197
methyl 5-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-2-carboxylate
CID 146175415
2,3,5-trimethylpyridine-4-carboxamide
CID 118022841
3-(3-hydroxyphenyl)-4-methyl-1H-benzimidazol-2-one
CID 117209156
7-methyl-2-oxo-3H-benzimidazole-1-carboxylic acid
CID 154197959
4,4-dimethyl-3-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-1-carboxamide
CID 175073754
4-methyl-3-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one
CID 117209238
3-(2,3-dimethylphenyl)-1H-quinazoline-2,4-dione
CID 12845269
2-methyl-3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid
CID 82514443
3-(2,6-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one
CID 110491340
2,4-diazatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-3,5-dione
CID 123847664
3-(3-methylphenyl)-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 115931444

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-4-carboxamide?
The IUPAC name of 2,3-dimethyl-5-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-4-carboxamide (CID 175073755) is 2,3-dimethyl-5-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2,3-dimethyl-5-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-4-carboxamide?
The canonical SMILES for 2,3-dimethyl-5-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-4-carboxamide is Cc1ncc(-n2c(=O)[nH]c3cccc(C)c32)c(C(N)=O)c1C.
What is the InChIKey of 2,3-dimethyl-5-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-4-carboxamide?
The InChIKey is WLHGCNSPFIYEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-8-5-4-6-11-14(8)20(16(22)19-11)12-7-18-10(3)9(2)13(12)15(17)21/h4-7H,1-3H3,(H2,17,21)(H,19,22).
What are the key properties of 2,3-dimethyl-5-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-4-carboxamide?
2,3-dimethyl-5-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-4-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 175073755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).