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

C16H19N3O — CID 104742250

IUPAC3-amino-N-(3-phenylbutyl)pyridine-2-carboxamide
SMILESCC(CCNC(=O)c1ncccc1N)c1ccccc1
InChIInChI=1S/C16H19N3O/c1-12(13-6-3-2-4-7-13)9-11-19-16(20)15-14(17)8-5-10-18-15/h2-8,10,12H,9,11,17H2,1H3,(H,19,20)
InChIKeyYWQLBTMCZDFPJJ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.59
Rot. Bonds5

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

3-amino-N-(3-phenylbutyl)pyridine-2-carboxamide (PubChem CID 104742250) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-amino-N-(3-phenylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-phenylbutyl)pyridine-2-carboxamide
PubChem CID104742250
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3-amino-N-(3-phenylbutyl)pyridine-2-carboxamide
SMILESCC(CCNC(=O)c1ncccc1N)c1ccccc1
InChIInChI=1S/C16H19N3O/c1-12(13-6-3-2-4-7-13)9-11-19-16(20)15-14(17)8-5-10-18-15/h2-8,10,12H,9,11,17H2,1H3,(H,19,20)
InChIKeyYWQLBTMCZDFPJJ-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

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Related Compounds

3-amino-N-(2-phenylpropyl)pyridine-2-carboxamide
CID 104742039
4-amino-N-(3-phenylbutyl)pyridine-2-carboxamide
CID 62987007
2-(methylamino)-N-(3-phenylbutyl)pyridine-3-carboxamide
CID 62986832
3-amino-N-(2-methyl-1-phenylpropyl)pyridine-2-carboxamide
CID 104741223
N-(3-phenylbutyl)benzamide
CID 62403316
3-amino-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 104740778
3-amino-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide
CID 104741062
3-amino-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 104740997
3-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 104741450
methyl 2-[(3-aminopyridine-2-carbonyl)amino]-2-phenylacetate
CID 104742175
(2R)-2-[(3-aminopyridine-2-carbonyl)amino]propanoic acid
CID 104742099
2-(aminomethyl)-5-methyl-N-(3-phenylbutyl)pyrimidine-4-carboxamide
CID 166839536

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-phenylbutyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(3-phenylbutyl)pyridine-2-carboxamide (CID 104742250) is 3-amino-N-(3-phenylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3-phenylbutyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(3-phenylbutyl)pyridine-2-carboxamide is CC(CCNC(=O)c1ncccc1N)c1ccccc1.
What is the InChIKey of 3-amino-N-(3-phenylbutyl)pyridine-2-carboxamide?
The InChIKey is YWQLBTMCZDFPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12(13-6-3-2-4-7-13)9-11-19-16(20)15-14(17)8-5-10-18-15/h2-8,10,12H,9,11,17H2,1H3,(H,19,20).
What are the key properties of 3-amino-N-(3-phenylbutyl)pyridine-2-carboxamide?
3-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 3-amino-N-(3-phenylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 104742250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).