N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)pyridine-4-carboxamide

C14H12N4O2 — CID 110721736

IUPACN-(1-methyl-2-oxo-3H-benzimidazol-5-yl)pyridine-4-carboxamide
SMILESCn1c(=O)[nH]c2cc(NC(=O)c3ccncc3)ccc21
InChIInChI=1S/C14H12N4O2/c1-18-12-3-2-10(8-11(12)17-14(18)20)16-13(19)9-4-6-15-7-5-9/h2-8H,1H3,(H,16,19)(H,17,20)
InChIKeyFSIDBUXZWIFDNM-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.51
Rot. Bonds2

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

N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)pyridine-4-carboxamide (PubChem CID 110721736) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxo-3H-benzimidazol-5-yl)pyridine-4-carboxamide
PubChem CID110721736
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC NameN-(1-methyl-2-oxo-3H-benzimidazol-5-yl)pyridine-4-carboxamide
SMILESCn1c(=O)[nH]c2cc(NC(=O)c3ccncc3)ccc21
InChIInChI=1S/C14H12N4O2/c1-18-12-3-2-10(8-11(12)17-14(18)20)16-13(19)9-4-6-15-7-5-9/h2-8H,1H3,(H,16,19)(H,17,20)
InChIKeyFSIDBUXZWIFDNM-UHFFFAOYSA-N
XLogP1.51
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide
CID 110721732
3-acetamido-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide
CID 110743522
3,4-dimethoxy-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide
CID 110721708
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-4-carboxamide
CID 26663415
N-[3-(1,3-dithiolan-2-yl)phenyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 71885645
N-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 86844636
N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3-(4-methylphenyl)propanamide
CID 110721777
methanol;N-pyridin-4-ylpyridine-4-carboxamide
CID 158472241
2-(4-chlorophenoxy)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)acetamide
CID 110721724
N-(2-tert-butyl-3H-benzimidazol-5-yl)pyridine-4-carboxamide
CID 53368058
1-methyl-2-oxo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide
CID 165120805
3-(2-fluorophenyl)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)propanamide
CID 110721787

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)pyridine-4-carboxamide?
The IUPAC name of N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)pyridine-4-carboxamide (CID 110721736) is N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)pyridine-4-carboxamide is Cn1c(=O)[nH]c2cc(NC(=O)c3ccncc3)ccc21.
What is the InChIKey of N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)pyridine-4-carboxamide?
The InChIKey is FSIDBUXZWIFDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-18-12-3-2-10(8-11(12)17-14(18)20)16-13(19)9-4-6-15-7-5-9/h2-8H,1H3,(H,16,19)(H,17,20).
What are the key properties of N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)pyridine-4-carboxamide?
N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)pyridine-4-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 110721736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).