N-butyl-6-(methylamino)-N-phenylpyridine-2-carboxamide

C17H21N3O — CID 64584654

IUPACN-butyl-6-(methylamino)-N-phenylpyridine-2-carboxamide
SMILESCCCCN(C(=O)c1cccc(NC)n1)c1ccccc1
InChIInChI=1S/C17H21N3O/c1-3-4-13-20(14-9-6-5-7-10-14)17(21)15-11-8-12-16(18-2)19-15/h5-12H,3-4,13H2,1-2H3,(H,18,19)
InChIKeyJCCYBSSANKKTFB-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.57
Rot. Bonds6

About N-butyl-6-(methylamino)-N-phenylpyridine-2-carboxamide

N-butyl-6-(methylamino)-N-phenylpyridine-2-carboxamide (PubChem CID 64584654) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-butyl-6-(methylamino)-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-6-(methylamino)-N-phenylpyridine-2-carboxamide
PubChem CID64584654
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-butyl-6-(methylamino)-N-phenylpyridine-2-carboxamide
SMILESCCCCN(C(=O)c1cccc(NC)n1)c1ccccc1
InChIInChI=1S/C17H21N3O/c1-3-4-13-20(14-9-6-5-7-10-14)17(21)15-11-8-12-16(18-2)19-15/h5-12H,3-4,13H2,1-2H3,(H,18,19)
InChIKeyJCCYBSSANKKTFB-UHFFFAOYSA-N
XLogP3.57
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-butyl-6-(methylamino)-N-phenylpyridine-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

N-butyl-6-fluoro-N-phenylpyridine-2-carboxamide
CID 115497112
2-(1-aminoethyl)-N-butyl-N-phenyl-1,3-thiazole-4-carboxamide
CID 66388418
4-amino-N-butyl-N-phenylpyridine-2-carboxamide
CID 64586979
N-[3-(dimethylamino)propyl]-N-methyl-6-(methylamino)pyridine-2-carboxamide
CID 63725681
N,N-dibutyl-6-(ethylamino)pyridine-2-carboxamide
CID 62240821
N,N-bis(2-ethoxyethyl)-6-(methylamino)pyridine-2-carboxamide
CID 82941671
3-bromo-N-butyl-N-phenylbenzamide
CID 17256559
N-butyl-5-hydroxy-N-phenylpyridine-3-carboxamide
CID 64586177
4-bromo-N-butyl-N-phenylbenzamide
CID 3934058
2,6-difluoro-N-pentyl-N-phenylbenzamide
CID 135075330
N-butyl-2-(2,3-dimethoxyphenyl)-N-phenyl-1,3-thiazole-4-carboxamide
CID 24672160
N-butyl-N-phenylprop-2-enamide
CID 43619884

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(methylamino)-N-phenylpyridine-2-carboxamide?
The IUPAC name of N-butyl-6-(methylamino)-N-phenylpyridine-2-carboxamide (CID 64584654) is N-butyl-6-(methylamino)-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for N-butyl-6-(methylamino)-N-phenylpyridine-2-carboxamide?
The canonical SMILES for N-butyl-6-(methylamino)-N-phenylpyridine-2-carboxamide is CCCCN(C(=O)c1cccc(NC)n1)c1ccccc1.
What is the InChIKey of N-butyl-6-(methylamino)-N-phenylpyridine-2-carboxamide?
The InChIKey is JCCYBSSANKKTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-4-13-20(14-9-6-5-7-10-14)17(21)15-11-8-12-16(18-2)19-15/h5-12H,3-4,13H2,1-2H3,(H,18,19).
What are the key properties of N-butyl-6-(methylamino)-N-phenylpyridine-2-carboxamide?
N-butyl-6-(methylamino)-N-phenylpyridine-2-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-(methylamino)-N-phenylpyridine-2-carboxamide is sourced from PubChem (CID 64584654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).