2-[(2-fluorophenyl)methylamino]-N-pentylpyridine-4-carboxamide

C18H22FN3O — CID 109170487

IUPAC2-[(2-fluorophenyl)methylamino]-N-pentylpyridine-4-carboxamide
SMILESCCCCCNC(=O)c1ccnc(NCc2ccccc2F)c1
InChIInChI=1S/C18H22FN3O/c1-2-3-6-10-21-18(23)14-9-11-20-17(12-14)22-13-15-7-4-5-8-16(15)19/h4-5,7-9,11-12H,2-3,6,10,13H2,1H3,(H,20,22)(H,21,23)
InChIKeyPHQBKAUVCRXJNI-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.75
Rot. Bonds8

About 2-[(2-fluorophenyl)methylamino]-N-pentylpyridine-4-carboxamide

2-[(2-fluorophenyl)methylamino]-N-pentylpyridine-4-carboxamide (PubChem CID 109170487) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylamino]-N-pentylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylamino]-N-pentylpyridine-4-carboxamide
PubChem CID109170487
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name2-[(2-fluorophenyl)methylamino]-N-pentylpyridine-4-carboxamide
SMILESCCCCCNC(=O)c1ccnc(NCc2ccccc2F)c1
InChIInChI=1S/C18H22FN3O/c1-2-3-6-10-21-18(23)14-9-11-20-17(12-14)22-13-15-7-4-5-8-16(15)19/h4-5,7-9,11-12H,2-3,6,10,13H2,1H3,(H,20,22)(H,21,23)
InChIKeyPHQBKAUVCRXJNI-UHFFFAOYSA-N
XLogP3.75
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2-fluorophenyl)methylamino]-N-pentylpyridine-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-butyl-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109165416
2-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109166991
N-[2-(dimethylamino)ethyl]-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109167657
4-N-butyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079208
4-N-[2-(2-fluorophenyl)ethyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109087942
N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172463
N-butyl-2-(propylamino)pyridine-4-carboxamide
CID 62185279
N-[2-(2-fluorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169978
N-[2-(2-fluorophenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-4-carboxamide
CID 109172077
N-(3-acetamidophenyl)-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109170520
N-[(2-fluorophenyl)methyl]-2-hydrazinylpyridine-4-carboxamide
CID 62248324
1-N-butyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109051080

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylamino]-N-pentylpyridine-4-carboxamide?
The IUPAC name of 2-[(2-fluorophenyl)methylamino]-N-pentylpyridine-4-carboxamide (CID 109170487) is 2-[(2-fluorophenyl)methylamino]-N-pentylpyridine-4-carboxamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methylamino]-N-pentylpyridine-4-carboxamide?
The canonical SMILES for 2-[(2-fluorophenyl)methylamino]-N-pentylpyridine-4-carboxamide is CCCCCNC(=O)c1ccnc(NCc2ccccc2F)c1.
What is the InChIKey of 2-[(2-fluorophenyl)methylamino]-N-pentylpyridine-4-carboxamide?
The InChIKey is PHQBKAUVCRXJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-2-3-6-10-21-18(23)14-9-11-20-17(12-14)22-13-15-7-4-5-8-16(15)19/h4-5,7-9,11-12H,2-3,6,10,13H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-[(2-fluorophenyl)methylamino]-N-pentylpyridine-4-carboxamide?
2-[(2-fluorophenyl)methylamino]-N-pentylpyridine-4-carboxamide has a molecular weight of 315.39 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylamino]-N-pentylpyridine-4-carboxamide is sourced from PubChem (CID 109170487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).