2-(butylamino)-N-(2-methoxyphenyl)pyridine-4-carboxamide

C17H21N3O2 — CID 109165599

IUPAC2-(butylamino)-N-(2-methoxyphenyl)pyridine-4-carboxamide
SMILESCCCCNc1cc(C(=O)Nc2ccccc2OC)ccn1
InChIInChI=1S/C17H21N3O2/c1-3-4-10-18-16-12-13(9-11-19-16)17(21)20-14-7-5-6-8-15(14)22-2/h5-9,11-12H,3-4,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyXOBPYMHPWHGISW-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.55
Rot. Bonds7

About 2-(butylamino)-N-(2-methoxyphenyl)pyridine-4-carboxamide

2-(butylamino)-N-(2-methoxyphenyl)pyridine-4-carboxamide (PubChem CID 109165599) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(butylamino)-N-(2-methoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(butylamino)-N-(2-methoxyphenyl)pyridine-4-carboxamide
PubChem CID109165599
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-(butylamino)-N-(2-methoxyphenyl)pyridine-4-carboxamide
SMILESCCCCNc1cc(C(=O)Nc2ccccc2OC)ccn1
InChIInChI=1S/C17H21N3O2/c1-3-4-10-18-16-12-13(9-11-19-16)17(21)20-14-7-5-6-8-15(14)22-2/h5-9,11-12H,3-4,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyXOBPYMHPWHGISW-UHFFFAOYSA-N
XLogP3.55
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(butylamino)-N-(2-methoxyphenyl)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

2-(butylamino)-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 109165609
ethyl 2-[[2-(butylamino)pyridine-4-carbonyl]amino]benzoate
CID 109165643
2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 109170966
2-(2-chloroanilino)-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 109177396
2-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109174876
N-(2-ethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172694
N-(2-methoxyphenyl)-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide
CID 109177874
4-[(2-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730044
2-(3-acetamidoanilino)-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 109177884
methyl 2-[[2-(2-methoxyethylamino)pyridine-4-carbonyl]amino]benzoate
CID 109166947
2-N-butyl-4-N-(2,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109079502
N-(4-chloro-2-methylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172819

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-N-(2-methoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(butylamino)-N-(2-methoxyphenyl)pyridine-4-carboxamide (CID 109165599) is 2-(butylamino)-N-(2-methoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(butylamino)-N-(2-methoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(butylamino)-N-(2-methoxyphenyl)pyridine-4-carboxamide is CCCCNc1cc(C(=O)Nc2ccccc2OC)ccn1.
What is the InChIKey of 2-(butylamino)-N-(2-methoxyphenyl)pyridine-4-carboxamide?
The InChIKey is XOBPYMHPWHGISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-3-4-10-18-16-12-13(9-11-19-16)17(21)20-14-7-5-6-8-15(14)22-2/h5-9,11-12H,3-4,10H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-(butylamino)-N-(2-methoxyphenyl)pyridine-4-carboxamide?
2-(butylamino)-N-(2-methoxyphenyl)pyridine-4-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-N-(2-methoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109165599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).