4-amino-N-(3-phenylbutyl)pyridine-2-carboxamide

C16H19N3O — CID 62987007

IUPAC4-amino-N-(3-phenylbutyl)pyridine-2-carboxamide
SMILESCC(CCNC(=O)c1cc(N)ccn1)c1ccccc1
InChIInChI=1S/C16H19N3O/c1-12(13-5-3-2-4-6-13)7-9-19-16(20)15-11-14(17)8-10-18-15/h2-6,8,10-12H,7,9H2,1H3,(H2,17,18)(H,19,20)
InChIKeyLENMFESSNWRDCC-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.59
Rot. Bonds5

About 4-amino-N-(3-phenylbutyl)pyridine-2-carboxamide

4-amino-N-(3-phenylbutyl)pyridine-2-carboxamide (PubChem CID 62987007) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-amino-N-(3-phenylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-phenylbutyl)pyridine-2-carboxamide
PubChem CID62987007
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-amino-N-(3-phenylbutyl)pyridine-2-carboxamide
SMILESCC(CCNC(=O)c1cc(N)ccn1)c1ccccc1
InChIInChI=1S/C16H19N3O/c1-12(13-5-3-2-4-6-13)7-9-19-16(20)15-11-14(17)8-10-18-15/h2-6,8,10-12H,7,9H2,1H3,(H2,17,18)(H,19,20)
InChIKeyLENMFESSNWRDCC-UHFFFAOYSA-N
XLogP2.59
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-(3-phenylbutyl)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-(methylamino)-N-(3-phenylbutyl)pyridine-2-carboxamide
CID 62986653
3-amino-N-(3-phenylbutyl)pyridine-2-carboxamide
CID 104742250
4-amino-N-[2-(3-methylbutoxy)ethyl]pyridine-2-carboxamide
CID 55041484
N-(3-phenylbutyl)benzamide
CID 62403316
4-amino-N-(2-methylsulfanylethyl)pyridine-2-carboxamide
CID 63962299
4-amino-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 62154340
2-amino-5-bromo-N-(3-phenylbutyl)pyridine-3-carboxamide
CID 62986651
6-chloro-N-(3-phenylbutyl)pyrazine-2-carboxamide
CID 106551267
2-(2-amino-1,3-thiazol-4-yl)-N-(3-phenylbutyl)acetamide
CID 62987863
4-amino-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 106262005
2-(methylamino)-N-(3-phenylbutyl)pyridine-3-carboxamide
CID 62986832
4-amino-N-(2-amino-2-oxoethyl)pyridine-2-carboxamide
CID 62156231

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-phenylbutyl)pyridine-2-carboxamide?
The IUPAC name of 4-amino-N-(3-phenylbutyl)pyridine-2-carboxamide (CID 62987007) is 4-amino-N-(3-phenylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-amino-N-(3-phenylbutyl)pyridine-2-carboxamide?
The canonical SMILES for 4-amino-N-(3-phenylbutyl)pyridine-2-carboxamide is CC(CCNC(=O)c1cc(N)ccn1)c1ccccc1.
What is the InChIKey of 4-amino-N-(3-phenylbutyl)pyridine-2-carboxamide?
The InChIKey is LENMFESSNWRDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12(13-5-3-2-4-6-13)7-9-19-16(20)15-11-14(17)8-10-18-15/h2-6,8,10-12H,7,9H2,1H3,(H2,17,18)(H,19,20).
What are the key properties of 4-amino-N-(3-phenylbutyl)pyridine-2-carboxamide?
4-amino-N-(3-phenylbutyl)pyridine-2-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-phenylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 62987007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).