5-(butylamino)-N-(2-fluorophenyl)pyridine-2-carboxamide

C16H18FN3O — CID 109180924

IUPAC5-(butylamino)-N-(2-fluorophenyl)pyridine-2-carboxamide
SMILESCCCCNc1ccc(C(=O)Nc2ccccc2F)nc1
InChIInChI=1S/C16H18FN3O/c1-2-3-10-18-12-8-9-15(19-11-12)16(21)20-14-7-5-4-6-13(14)17/h4-9,11,18H,2-3,10H2,1H3,(H,20,21)
InChIKeyDTSAKSUHXSAIQH-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.68
Rot. Bonds6

About 5-(butylamino)-N-(2-fluorophenyl)pyridine-2-carboxamide

5-(butylamino)-N-(2-fluorophenyl)pyridine-2-carboxamide (PubChem CID 109180924) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 5-(butylamino)-N-(2-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(butylamino)-N-(2-fluorophenyl)pyridine-2-carboxamide
PubChem CID109180924
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name5-(butylamino)-N-(2-fluorophenyl)pyridine-2-carboxamide
SMILESCCCCNc1ccc(C(=O)Nc2ccccc2F)nc1
InChIInChI=1S/C16H18FN3O/c1-2-3-10-18-12-8-9-15(19-11-12)16(21)20-14-7-5-4-6-13(14)17/h4-9,11,18H,2-3,10H2,1H3,(H,20,21)
InChIKeyDTSAKSUHXSAIQH-UHFFFAOYSA-N
XLogP3.68
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(butylamino)-N-(2-fluorophenyl)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

5-(tert-butylamino)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109195204
methyl 2-[[5-(butylamino)pyridine-2-carbonyl]amino]benzoate
CID 109180957
5-(butylamino)-N-(4-chlorophenyl)pyridine-2-carboxamide
CID 109180928
5-(butylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109180980
5-(butylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109224645
N-(2,5-difluorophenyl)-5-(propylamino)pyridine-2-carboxamide
CID 104639737
ethyl 2-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate
CID 109195914
N-(2-fluorophenyl)-5-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190308
N-(2-fluorophenyl)-6-(pentylamino)pyrimidine-4-carboxamide
CID 109354441
N-(2-methoxyphenyl)-5-(propylamino)pyridine-2-carboxamide
CID 109179366
N-(3-fluoro-4-pyridinyl)-5-(propylamino)pyridine-2-carboxamide
CID 107595450
5-ethoxy-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 146277110

Frequently Asked Questions

What is the IUPAC name of 5-(butylamino)-N-(2-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(butylamino)-N-(2-fluorophenyl)pyridine-2-carboxamide (CID 109180924) is 5-(butylamino)-N-(2-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(butylamino)-N-(2-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(butylamino)-N-(2-fluorophenyl)pyridine-2-carboxamide is CCCCNc1ccc(C(=O)Nc2ccccc2F)nc1.
What is the InChIKey of 5-(butylamino)-N-(2-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is DTSAKSUHXSAIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-2-3-10-18-12-8-9-15(19-11-12)16(21)20-14-7-5-4-6-13(14)17/h4-9,11,18H,2-3,10H2,1H3,(H,20,21).
What are the key properties of 5-(butylamino)-N-(2-fluorophenyl)pyridine-2-carboxamide?
5-(butylamino)-N-(2-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butylamino)-N-(2-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109180924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).