N-[(4-fluorophenyl)methyl]-4-(propylamino)pyridine-2-carboxamide

C16H18FN3O — CID 62167261

IUPACN-[(4-fluorophenyl)methyl]-4-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C16H18FN3O/c1-2-8-18-14-7-9-19-15(10-14)16(21)20-11-12-3-5-13(17)6-4-12/h3-7,9-10H,2,8,11H2,1H3,(H,18,19)(H,20,21)
InChIKeyYDEOFHNNVUBGJK-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.97
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-4-(propylamino)pyridine-2-carboxamide

N-[(4-fluorophenyl)methyl]-4-(propylamino)pyridine-2-carboxamide (PubChem CID 62167261) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-(propylamino)pyridine-2-carboxamide
PubChem CID62167261
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC NameN-[(4-fluorophenyl)methyl]-4-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C16H18FN3O/c1-2-8-18-14-7-9-19-15(10-14)16(21)20-11-12-3-5-13(17)6-4-12/h3-7,9-10H,2,8,11H2,1H3,(H,18,19)(H,20,21)
InChIKeyYDEOFHNNVUBGJK-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(4-fluorophenyl)methyl]-4-(propylamino)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

4-[3-(dimethylamino)propylamino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109207899
N-[(4-fluorophenyl)methyl]-4-hydrazinylpyridine-2-carboxamide
CID 62249040
4-(propylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 62185886
N-[2-(4-fluorophenyl)ethyl]-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214099
4-tert-butyl-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 20627948
4-[2-(4-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210175
4-(4-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211464
2-N-butyl-4-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079398
4-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211451
4-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109201906
N-[(4-chlorophenyl)methyl]-4-(ethylamino)pyridine-2-carboxamide
CID 62186393
4-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109214110

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-(propylamino)pyridine-2-carboxamide (CID 62167261) is N-[(4-fluorophenyl)methyl]-4-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-(propylamino)pyridine-2-carboxamide is CCCNc1ccnc(C(=O)NCc2ccc(F)cc2)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-(propylamino)pyridine-2-carboxamide?
The InChIKey is YDEOFHNNVUBGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-2-8-18-14-7-9-19-15(10-14)16(21)20-11-12-3-5-13(17)6-4-12/h3-7,9-10H,2,8,11H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-(propylamino)pyridine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-4-(propylamino)pyridine-2-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62167261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).