4-(butylamino)-N-(3-methylphenyl)pyridine-2-carboxamide

C17H21N3O — CID 109202744

IUPAC4-(butylamino)-N-(3-methylphenyl)pyridine-2-carboxamide
SMILESCCCCNc1ccnc(C(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C17H21N3O/c1-3-4-9-18-14-8-10-19-16(12-14)17(21)20-15-7-5-6-13(2)11-15/h5-8,10-12H,3-4,9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyQKASFQRECZQTGV-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.85
Rot. Bonds6

About 4-(butylamino)-N-(3-methylphenyl)pyridine-2-carboxamide

4-(butylamino)-N-(3-methylphenyl)pyridine-2-carboxamide (PubChem CID 109202744) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-(butylamino)-N-(3-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(butylamino)-N-(3-methylphenyl)pyridine-2-carboxamide
PubChem CID109202744
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name4-(butylamino)-N-(3-methylphenyl)pyridine-2-carboxamide
SMILESCCCCNc1ccnc(C(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C17H21N3O/c1-3-4-9-18-14-8-10-19-16(12-14)17(21)20-15-7-5-6-13(2)11-15/h5-8,10-12H,3-4,9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyQKASFQRECZQTGV-UHFFFAOYSA-N
XLogP3.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(butylamino)-N-(3-methylphenyl)pyridine-2-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-(3-acetylphenyl)-4-(butylamino)pyridine-2-carboxamide
CID 109202795
4-[2-(4-fluorophenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109214200
N-(3-iodophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 63499869
N-(3,5-dichlorophenyl)-4-(pentylamino)pyridine-2-carboxamide
CID 109217686
4-(3-fluoroanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109219115
N-(3,4-dimethylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62173356
N-(3-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213141
N-(3-bromo-5-methylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 107578587
4-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109219072
N-(3-methylphenyl)-5-(pentylamino)pyrazine-2-carboxamide
CID 109288125
N-(2-bromo-5-methylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 82750648
N-(3-acetylphenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109208005

Frequently Asked Questions

What is the IUPAC name of 4-(butylamino)-N-(3-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(butylamino)-N-(3-methylphenyl)pyridine-2-carboxamide (CID 109202744) is 4-(butylamino)-N-(3-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(butylamino)-N-(3-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(butylamino)-N-(3-methylphenyl)pyridine-2-carboxamide is CCCCNc1ccnc(C(=O)Nc2cccc(C)c2)c1.
What is the InChIKey of 4-(butylamino)-N-(3-methylphenyl)pyridine-2-carboxamide?
The InChIKey is QKASFQRECZQTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-4-9-18-14-8-10-19-16(12-14)17(21)20-15-7-5-6-13(2)11-15/h5-8,10-12H,3-4,9H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 4-(butylamino)-N-(3-methylphenyl)pyridine-2-carboxamide?
4-(butylamino)-N-(3-methylphenyl)pyridine-2-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylamino)-N-(3-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109202744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).