6-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-3-carboxylic acid

C14H11N3O4 — CID 110128894

IUPAC6-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(Cc2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C14H11N3O4/c18-12-4-2-9(13(19)20)7-17(12)6-8-1-3-10-11(5-8)16-14(21)15-10/h1-5,7H,6H2,(H,19,20)(H2,15,16,21)
InChIKeyFCHSUYSNMSKKSD-UHFFFAOYSA-N
MW285.26 g/mol
LogP0.76
Rot. Bonds3

About 6-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-3-carboxylic acid

6-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-3-carboxylic acid (PubChem CID 110128894) has the molecular formula C14H11N3O4 and a molecular weight of 285.26 g/mol. Its IUPAC name is 6-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-3-carboxylic acid
PubChem CID110128894
Molecular FormulaC14H11N3O4
Molecular Weight285.26 g/mol
Exact Mass285.07
IUPAC Name6-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(Cc2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C14H11N3O4/c18-12-4-2-9(13(19)20)7-17(12)6-8-1-3-10-11(5-8)16-14(21)15-10/h1-5,7H,6H2,(H,19,20)(H2,15,16,21)
InChIKeyFCHSUYSNMSKKSD-UHFFFAOYSA-N
XLogP0.76
TPSA107.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid
CID 28516966
1-[(4-cyano-3-methoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid
CID 106792177
1-[(2-methoxy-4-pyridinyl)methyl]-6-oxopyridine-3-carboxylic acid
CID 62993708
5-fluoro-4-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]quinoline-3-carboxylic acid
CID 54587507
5-(4-benzylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110692320
1-[(3-fluoro-5-nitrophenyl)methyl]-6-oxopyridine-3-carboxylic acid
CID 115980740
5-(2-oxo-3-phenylpropyl)-1,3-dihydrobenzimidazol-2-one
CID 158499935
1-[(2-methyltetrazol-5-yl)methyl]-6-oxopyridine-3-carboxylic acid
CID 107043943
5-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one
CID 110802098
5-(3-piperazin-1-ylpropanoyl)-1,3-dihydrobenzimidazol-2-one
CID 96680051
(2S)-2-amino-2-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoic acid;hydrochloride
CID 70619117
5-(fluoromethyl)-1,3-dihydrobenzimidazol-2-one
CID 70140559

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-3-carboxylic acid (CID 110128894) is 6-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-3-carboxylic acid is O=C(O)c1ccc(=O)n(Cc2ccc3[nH]c(=O)[nH]c3c2)c1.
What is the InChIKey of 6-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-3-carboxylic acid?
The InChIKey is FCHSUYSNMSKKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O4/c18-12-4-2-9(13(19)20)7-17(12)6-8-1-3-10-11(5-8)16-14(21)15-10/h1-5,7H,6H2,(H,19,20)(H2,15,16,21).
What are the key properties of 6-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-3-carboxylic acid?
6-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-3-carboxylic acid has a molecular weight of 285.26 g/mol, XLogP of 0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 110128894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).