2-(butylcarbamoyl)pyridine-4-carboxylic acid

C11H14N2O3 — CID 122055000

IUPAC2-(butylcarbamoyl)pyridine-4-carboxylic acid
SMILESCCCCNC(=O)c1cc(C(=O)O)ccn1
InChIInChI=1S/C11H14N2O3/c1-2-3-5-13-10(14)9-7-8(11(15)16)4-6-12-9/h4,6-7H,2-3,5H2,1H3,(H,13,14)(H,15,16)
InChIKeyONGLJYKYTMQVAW-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.31
Rot. Bonds5

About 2-(butylcarbamoyl)pyridine-4-carboxylic acid

2-(butylcarbamoyl)pyridine-4-carboxylic acid (PubChem CID 122055000) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-(butylcarbamoyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(butylcarbamoyl)pyridine-4-carboxylic acid
PubChem CID122055000
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-(butylcarbamoyl)pyridine-4-carboxylic acid
SMILESCCCCNC(=O)c1cc(C(=O)O)ccn1
InChIInChI=1S/C11H14N2O3/c1-2-3-5-13-10(14)9-7-8(11(15)16)4-6-12-9/h4,6-7H,2-3,5H2,1H3,(H,13,14)(H,15,16)
InChIKeyONGLJYKYTMQVAW-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(butylcarbamoyl)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-(2-butoxyethylcarbamoyl)pyridine-4-carboxylic acid
CID 122055349
2-(3-ethylsulfanylpropylcarbamoyl)pyridine-4-carboxylic acid
CID 122056379
2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109079380
2-N-butyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109079379
2-N-butyl-4-N-(4-tert-butylphenyl)pyridine-2,4-dicarboxamide
CID 109079477
4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109083911
2-N-(2-methoxyethyl)-4-N-pentylpyridine-2,4-dicarboxamide
CID 109082372
ethyl 4-[2-(butylcarbamoyl)pyridine-4-carbonyl]piperazine-1-carboxylate
CID 109079428
4-N-butyl-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109079185
2-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109079423
2-N-butyl-4-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079398
2-N-butyl-4-N-[2-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109079504

Frequently Asked Questions

What is the IUPAC name of 2-(butylcarbamoyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(butylcarbamoyl)pyridine-4-carboxylic acid (CID 122055000) is 2-(butylcarbamoyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(butylcarbamoyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(butylcarbamoyl)pyridine-4-carboxylic acid is CCCCNC(=O)c1cc(C(=O)O)ccn1.
What is the InChIKey of 2-(butylcarbamoyl)pyridine-4-carboxylic acid?
The InChIKey is ONGLJYKYTMQVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-2-3-5-13-10(14)9-7-8(11(15)16)4-6-12-9/h4,6-7H,2-3,5H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-(butylcarbamoyl)pyridine-4-carboxylic acid?
2-(butylcarbamoyl)pyridine-4-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylcarbamoyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 122055000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).