2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pyridine-4-carboxylic acid

C13H11N3O4 — CID 114324147

IUPAC2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(CNC(=O)c2ccc[nH]c2=O)c1
InChIInChI=1S/C13H11N3O4/c17-11-10(2-1-4-15-11)12(18)16-7-9-6-8(13(19)20)3-5-14-9/h1-6H,7H2,(H,15,17)(H,16,18)(H,19,20)
InChIKeyUPPPFYVCFYFUGP-UHFFFAOYSA-N
MW273.25 g/mol
LogP0.40
Rot. Bonds4

About 2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pyridine-4-carboxylic acid

2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pyridine-4-carboxylic acid (PubChem CID 114324147) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is 2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pyridine-4-carboxylic acid
PubChem CID114324147
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Name2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(CNC(=O)c2ccc[nH]c2=O)c1
InChIInChI=1S/C13H11N3O4/c17-11-10(2-1-4-15-11)12(18)16-7-9-6-8(13(19)20)3-5-14-9/h1-6H,7H2,(H,15,17)(H,16,18)(H,19,20)
InChIKeyUPPPFYVCFYFUGP-UHFFFAOYSA-N
XLogP0.40
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pyridine-4-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-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]-1H-pyridine-3-carboxamide
CID 122261802
2-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324244
2-[[(3-fluoropyridine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324148
2-[[(4-hydroxy-2-methylbenzoyl)amino]methyl]pyridine-4-carboxylic acid
CID 107670890
2-[[(3-methylpyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324145
2-[[(2-amino-4-bromobenzoyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324791
2-[[(1-ethylpyrrole-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324258
2-[[(3-bromo-5-chlorobenzoyl)amino]methyl]pyridine-4-carboxylic acid
CID 107938249
2-[[(6-chloropyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324212
2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 84676605
N-[(3,5-difluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 37391009
N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 49266569

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pyridine-4-carboxylic acid (CID 114324147) is 2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(CNC(=O)c2ccc[nH]c2=O)c1.
What is the InChIKey of 2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pyridine-4-carboxylic acid?
The InChIKey is UPPPFYVCFYFUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c17-11-10(2-1-4-15-11)12(18)16-7-9-6-8(13(19)20)3-5-14-9/h1-6H,7H2,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pyridine-4-carboxylic acid?
2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pyridine-4-carboxylic acid has a molecular weight of 273.25 g/mol, XLogP of 0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 114324147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).