2-[[(3-methylpyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid

C14H13N3O3 — CID 114324145

IUPAC2-[[(3-methylpyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
SMILESCc1cccnc1C(=O)NCc1cc(C(=O)O)ccn1
InChIInChI=1S/C14H13N3O3/c1-9-3-2-5-16-12(9)13(18)17-8-11-7-10(14(19)20)4-6-15-11/h2-7H,8H2,1H3,(H,17,18)(H,19,20)
InChIKeyXGGIGSLQQUSYJH-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.41
Rot. Bonds4

About 2-[[(3-methylpyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid

2-[[(3-methylpyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid (PubChem CID 114324145) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-[[(3-methylpyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(3-methylpyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
PubChem CID114324145
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name2-[[(3-methylpyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
SMILESCc1cccnc1C(=O)NCc1cc(C(=O)O)ccn1
InChIInChI=1S/C14H13N3O3/c1-9-3-2-5-16-12(9)13(18)17-8-11-7-10(14(19)20)4-6-15-11/h2-7H,8H2,1H3,(H,17,18)(H,19,20)
InChIKeyXGGIGSLQQUSYJH-UHFFFAOYSA-N
XLogP1.41
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(3-methylpyridine-2-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-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324244
4-[[(3-methylpyridine-2-carbonyl)amino]methyl]benzoic acid
CID 62341325
2-[[(3-hydroxy-4-methylbenzoyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324060
2-[[(4-hydroxy-2-methylbenzoyl)amino]methyl]pyridine-4-carboxylic acid
CID 107670890
2-[[(1-ethylpyrrole-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324258
2-[[(3-chloro-4-methylthiophene-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 103400235
2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 84676605
2-[[(3-methylimidazole-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 103510660
3-[(3-methyl-2-pyridinyl)methylcarbamoyl]benzoic acid
CID 63309087
2-[[(5-ethylthiophene-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324276
2-[[(6-chloropyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324212
2-[[(3-methylpyridine-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379682

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-methylpyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[(3-methylpyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid (CID 114324145) is 2-[[(3-methylpyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[(3-methylpyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[(3-methylpyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid is Cc1cccnc1C(=O)NCc1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[[(3-methylpyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid?
The InChIKey is XGGIGSLQQUSYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-9-3-2-5-16-12(9)13(18)17-8-11-7-10(14(19)20)4-6-15-11/h2-7H,8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[(3-methylpyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid?
2-[[(3-methylpyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid has a molecular weight of 271.28 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-methylpyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 114324145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).