4-(1H-benzimidazol-2-ylcarbamoyl)pyridine-2-carboxylic acid

C14H10N4O3 — CID 115730029

IUPAC4-(1H-benzimidazol-2-ylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(Nc1nc2ccccc2[nH]1)c1ccnc(C(=O)O)c1
InChIInChI=1S/C14H10N4O3/c19-12(8-5-6-15-11(7-8)13(20)21)18-14-16-9-3-1-2-4-10(9)17-14/h1-7H,(H,20,21)(H2,16,17,18,19)
InChIKeyKXXYTWMZYHRFDP-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.91
Rot. Bonds3

About 4-(1H-benzimidazol-2-ylcarbamoyl)pyridine-2-carboxylic acid

4-(1H-benzimidazol-2-ylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 115730029) has the molecular formula C14H10N4O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-ylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID115730029
Molecular FormulaC14H10N4O3
Molecular Weight282.26 g/mol
Exact Mass282.08
IUPAC Name4-(1H-benzimidazol-2-ylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(Nc1nc2ccccc2[nH]1)c1ccnc(C(=O)O)c1
InChIInChI=1S/C14H10N4O3/c19-12(8-5-6-15-11(7-8)13(20)21)18-14-16-9-3-1-2-4-10(9)17-14/h1-7H,(H,20,21)(H2,16,17,18,19)
InChIKeyKXXYTWMZYHRFDP-UHFFFAOYSA-N
XLogP1.91
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(1H-benzimidazol-2-ylcarbamoyl)pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(1H-benzimidazol-2-yl)pyridine-4-carboxamide
CID 63565075
N-(1H-benzimidazol-2-yl)-2-cyanopyridine-4-carboxamide
CID 112527987
N-(1H-benzimidazol-2-yl)pyridine-4-carboxamide
CID 896334
N-(1H-benzimidazol-2-yl)-4-hydrazinylpyridine-2-carboxamide
CID 63563951
3-amino-N-(1H-benzimidazol-2-yl)benzamide
CID 62060005
N-(1H-benzimidazol-2-yl)-3-cyanobenzamide
CID 2635761
N-(1H-benzimidazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 3547940
N-(1H-benzimidazol-2-yl)-3,4-dipropoxybenzamide
CID 18207711
N-(1H-benzimidazol-2-yl)-3-(phenylsulfamoyl)benzamide
CID 155294875
N-(1H-benzimidazol-2-yl)-1,2-thiazole-5-carboxamide
CID 21452404
N-(1H-benzimidazol-2-yl)-4-(carbamoylamino)benzamide
CID 2477191
5-amino-N-(1H-benzimidazol-2-yl)pyridine-2-carboxamide
CID 81316691

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-ylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(1H-benzimidazol-2-ylcarbamoyl)pyridine-2-carboxylic acid (CID 115730029) is 4-(1H-benzimidazol-2-ylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(1H-benzimidazol-2-ylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(1H-benzimidazol-2-ylcarbamoyl)pyridine-2-carboxylic acid is O=C(Nc1nc2ccccc2[nH]1)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-(1H-benzimidazol-2-ylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is KXXYTWMZYHRFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O3/c19-12(8-5-6-15-11(7-8)13(20)21)18-14-16-9-3-1-2-4-10(9)17-14/h1-7H,(H,20,21)(H2,16,17,18,19).
What are the key properties of 4-(1H-benzimidazol-2-ylcarbamoyl)pyridine-2-carboxylic acid?
4-(1H-benzimidazol-2-ylcarbamoyl)pyridine-2-carboxylic acid has a molecular weight of 282.26 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-ylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 115730029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).