N-butyl-2-(propylamino)pyridine-4-carboxamide

C13H21N3O — CID 62185279

IUPACN-butyl-2-(propylamino)pyridine-4-carboxamide
SMILESCCCCNC(=O)c1ccnc(NCCC)c1
InChIInChI=1S/C13H21N3O/c1-3-5-8-16-13(17)11-6-9-15-12(10-11)14-7-4-2/h6,9-10H,3-5,7-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyQHLKJUJISSDWJT-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.43
Rot. Bonds7

About N-butyl-2-(propylamino)pyridine-4-carboxamide

N-butyl-2-(propylamino)pyridine-4-carboxamide (PubChem CID 62185279) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-butyl-2-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-2-(propylamino)pyridine-4-carboxamide
PubChem CID62185279
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-butyl-2-(propylamino)pyridine-4-carboxamide
SMILESCCCCNC(=O)c1ccnc(NCCC)c1
InChIInChI=1S/C13H21N3O/c1-3-5-8-16-13(17)11-6-9-15-12(10-11)14-7-4-2/h6,9-10H,3-5,7-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyQHLKJUJISSDWJT-UHFFFAOYSA-N
XLogP2.43
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-butyl-2-(propylamino)pyridine-4-carboxamide 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

N-(4-amino-4-oxobutyl)-2-(propylamino)pyridine-4-carboxamide
CID 55046885
N-[3-(dimethylamino)propyl]-2-(propylamino)pyridine-4-carboxamide
CID 55042326
N-butyl-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide
CID 109165408
N-(3-phenylpropyl)-2-(propylamino)pyridine-4-carboxamide
CID 109165110
N-(2,2-dimethylpropyl)-2-(propylamino)pyridine-4-carboxamide
CID 62179912
N-(4-propan-2-yloxybutyl)-2-(propylamino)pyridine-4-carboxamide
CID 106015134
N-[2-(diethylamino)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 62173284
2-(butylamino)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 109165522
N-methyl-2-(propylamino)pyridine-4-carboxamide
CID 62170975
N-butyl-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109165416
2-(butan-2-ylamino)-N-butylpyridine-4-carboxamide
CID 109165401
N-(2-methylbutyl)-2-(propylamino)pyridine-4-carboxamide
CID 62694218

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-butyl-2-(propylamino)pyridine-4-carboxamide (CID 62185279) is N-butyl-2-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-butyl-2-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-butyl-2-(propylamino)pyridine-4-carboxamide is CCCCNC(=O)c1ccnc(NCCC)c1.
What is the InChIKey of N-butyl-2-(propylamino)pyridine-4-carboxamide?
The InChIKey is QHLKJUJISSDWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-5-8-16-13(17)11-6-9-15-12(10-11)14-7-4-2/h6,9-10H,3-5,7-8H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of N-butyl-2-(propylamino)pyridine-4-carboxamide?
N-butyl-2-(propylamino)pyridine-4-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 62185279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).