4-amino-N-butyl-N-phenylpyridine-2-carboxamide

C16H19N3O — CID 64586979

IUPAC4-amino-N-butyl-N-phenylpyridine-2-carboxamide
SMILESCCCCN(C(=O)c1cc(N)ccn1)c1ccccc1
InChIInChI=1S/C16H19N3O/c1-2-3-11-19(14-7-5-4-6-8-14)16(20)15-12-13(17)9-10-18-15/h4-10,12H,2-3,11H2,1H3,(H2,17,18)
InChIKeyBKKYXTQCYVNHIP-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.11
Rot. Bonds5

About 4-amino-N-butyl-N-phenylpyridine-2-carboxamide

4-amino-N-butyl-N-phenylpyridine-2-carboxamide (PubChem CID 64586979) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-amino-N-butyl-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-butyl-N-phenylpyridine-2-carboxamide
PubChem CID64586979
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-amino-N-butyl-N-phenylpyridine-2-carboxamide
SMILESCCCCN(C(=O)c1cc(N)ccn1)c1ccccc1
InChIInChI=1S/C16H19N3O/c1-2-3-11-19(14-7-5-4-6-8-14)16(20)15-12-13(17)9-10-18-15/h4-10,12H,2-3,11H2,1H3,(H2,17,18)
InChIKeyBKKYXTQCYVNHIP-UHFFFAOYSA-N
XLogP3.11
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-butyl-N-methylpyridine-2-carboxamide
CID 62153373
4-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 62160207
5-amino-N-butyl-2-fluoro-N-phenylbenzamide
CID 62056959
4-amino-N-ethyl-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 62160198
4-amino-N-butyl-1-ethyl-N-phenylpyrrole-2-carboxamide
CID 64586919
2-(1-aminoethyl)-N-butyl-N-phenyl-1,3-thiazole-4-carboxamide
CID 66388418
N-butyl-6-fluoro-N-phenylpyridine-2-carboxamide
CID 115497112
N-(3-amino-3-oxopropyl)-4-(dimethylamino)-N-phenylpyridine-2-carboxamide
CID 86804652
5-amino-N-butyl-N-phenyl-1H-pyrazole-4-carboxamide
CID 64585805
2-amino-4-bromo-N-butyl-N-phenylbenzamide
CID 79705607
N-butyl-6-(methylamino)-N-phenylpyridine-2-carboxamide
CID 64584654
2-(4-aminophenyl)-N-butyl-N-phenylacetamide;hydrochloride
CID 119679254

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-N-phenylpyridine-2-carboxamide?
The IUPAC name of 4-amino-N-butyl-N-phenylpyridine-2-carboxamide (CID 64586979) is 4-amino-N-butyl-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for 4-amino-N-butyl-N-phenylpyridine-2-carboxamide?
The canonical SMILES for 4-amino-N-butyl-N-phenylpyridine-2-carboxamide is CCCCN(C(=O)c1cc(N)ccn1)c1ccccc1.
What is the InChIKey of 4-amino-N-butyl-N-phenylpyridine-2-carboxamide?
The InChIKey is BKKYXTQCYVNHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-3-11-19(14-7-5-4-6-8-14)16(20)15-12-13(17)9-10-18-15/h4-10,12H,2-3,11H2,1H3,(H2,17,18).
What are the key properties of 4-amino-N-butyl-N-phenylpyridine-2-carboxamide?
4-amino-N-butyl-N-phenylpyridine-2-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-N-phenylpyridine-2-carboxamide is sourced from PubChem (CID 64586979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).