4-[(2-methylpyridine-4-carbonyl)amino]butanoic acid

C11H14N2O3 — CID 106752465

IUPAC4-[(2-methylpyridine-4-carbonyl)amino]butanoic acid
SMILESCc1cc(C(=O)NCCCC(=O)O)ccn1
InChIInChI=1S/C11H14N2O3/c1-8-7-9(4-6-12-8)11(16)13-5-2-3-10(14)15/h4,6-7H,2-3,5H2,1H3,(H,13,16)(H,14,15)
InChIKeyOBNQXWXVGJLABL-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.98
Rot. Bonds5

About 4-[(2-methylpyridine-4-carbonyl)amino]butanoic acid

4-[(2-methylpyridine-4-carbonyl)amino]butanoic acid (PubChem CID 106752465) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 4-[(2-methylpyridine-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2-methylpyridine-4-carbonyl)amino]butanoic acid
PubChem CID106752465
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name4-[(2-methylpyridine-4-carbonyl)amino]butanoic acid
SMILESCc1cc(C(=O)NCCCC(=O)O)ccn1
InChIInChI=1S/C11H14N2O3/c1-8-7-9(4-6-12-8)11(16)13-5-2-3-10(14)15/h4,6-7H,2-3,5H2,1H3,(H,13,16)(H,14,15)
InChIKeyOBNQXWXVGJLABL-UHFFFAOYSA-N
XLogP0.98
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[(2-methylpyridine-4-carbonyl)amino]butanoic 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

6-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid
CID 106752452
5-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid
CID 106752753
N-[2-(ethylamino)ethyl]-2-methylpyridine-4-carboxamide
CID 106753602
(2R)-2-[(2-methylpyridine-4-carbonyl)amino]hexanedioic acid
CID 107831282
4-[(3-amino-4-methylbenzoyl)amino]butanoic acid
CID 61158961
2-methyl-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid
CID 106752586
2-[(2-methylpyridine-4-carbonyl)hydrazinylidene]pentanedioic acid
CID 3028423
N-[(2S)-2-hydroxypropyl]-2-methylpyridine-4-carboxamide
CID 106753450
2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyridine-4-carboxamide
CID 106753359
3-[(2-methylpyridine-4-carbonyl)amino]butanoic acid
CID 106752504
4-[[4-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]butanoic acid
CID 108796515
5-[(3,4-dihydroxybenzoyl)amino]pentanoic acid
CID 107728107

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpyridine-4-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(2-methylpyridine-4-carbonyl)amino]butanoic acid (CID 106752465) is 4-[(2-methylpyridine-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(2-methylpyridine-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(2-methylpyridine-4-carbonyl)amino]butanoic acid is Cc1cc(C(=O)NCCCC(=O)O)ccn1.
What is the InChIKey of 4-[(2-methylpyridine-4-carbonyl)amino]butanoic acid?
The InChIKey is OBNQXWXVGJLABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8-7-9(4-6-12-8)11(16)13-5-2-3-10(14)15/h4,6-7H,2-3,5H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 4-[(2-methylpyridine-4-carbonyl)amino]butanoic acid?
4-[(2-methylpyridine-4-carbonyl)amino]butanoic acid has a molecular weight of 222.24 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpyridine-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 106752465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).