3-[(1-methyl-6-oxopyridine-3-carbonyl)amino]benzoic acid

C14H12N2O4 — CID 122362337

IUPAC3-[(1-methyl-6-oxopyridine-3-carbonyl)amino]benzoic acid
SMILESCn1cc(C(=O)Nc2cccc(C(=O)O)c2)ccc1=O
InChIInChI=1S/C14H12N2O4/c1-16-8-10(5-6-12(16)17)13(18)15-11-4-2-3-9(7-11)14(19)20/h2-8H,1H3,(H,15,18)(H,19,20)
InChIKeyBLNCOMMFECMGRC-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.34
Rot. Bonds3

About 3-[(1-methyl-6-oxopyridine-3-carbonyl)amino]benzoic acid

3-[(1-methyl-6-oxopyridine-3-carbonyl)amino]benzoic acid (PubChem CID 122362337) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 3-[(1-methyl-6-oxopyridine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(1-methyl-6-oxopyridine-3-carbonyl)amino]benzoic acid
PubChem CID122362337
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name3-[(1-methyl-6-oxopyridine-3-carbonyl)amino]benzoic acid
SMILESCn1cc(C(=O)Nc2cccc(C(=O)O)c2)ccc1=O
InChIInChI=1S/C14H12N2O4/c1-16-8-10(5-6-12(16)17)13(18)15-11-4-2-3-9(7-11)14(19)20/h2-8H,1H3,(H,15,18)(H,19,20)
InChIKeyBLNCOMMFECMGRC-UHFFFAOYSA-N
XLogP1.34
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-6-oxopyridine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 3-[(1-methyl-6-oxopyridine-3-carbonyl)amino]benzoic acid (CID 122362337) is 3-[(1-methyl-6-oxopyridine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3-[(1-methyl-6-oxopyridine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 3-[(1-methyl-6-oxopyridine-3-carbonyl)amino]benzoic acid is Cn1cc(C(=O)Nc2cccc(C(=O)O)c2)ccc1=O.
What is the InChIKey of 3-[(1-methyl-6-oxopyridine-3-carbonyl)amino]benzoic acid?
The InChIKey is BLNCOMMFECMGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-16-8-10(5-6-12(16)17)13(18)15-11-4-2-3-9(7-11)14(19)20/h2-8H,1H3,(H,15,18)(H,19,20).
What are the key properties of 3-[(1-methyl-6-oxopyridine-3-carbonyl)amino]benzoic acid?
3-[(1-methyl-6-oxopyridine-3-carbonyl)amino]benzoic acid has a molecular weight of 272.26 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyl-6-oxopyridine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 122362337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).