5-(benzylamino)-N-butyl-N-methylpyridine-3-carboxamide

C18H23N3O — CID 109231838

IUPAC5-(benzylamino)-N-butyl-N-methylpyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1cncc(NCc2ccccc2)c1
InChIInChI=1S/C18H23N3O/c1-3-4-10-21(2)18(22)16-11-17(14-19-13-16)20-12-15-8-6-5-7-9-15/h5-9,11,13-14,20H,3-4,10,12H2,1-2H3
InChIKeyWMKOYVFTOMPPMM-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.57
Rot. Bonds7

About 5-(benzylamino)-N-butyl-N-methylpyridine-3-carboxamide

5-(benzylamino)-N-butyl-N-methylpyridine-3-carboxamide (PubChem CID 109231838) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 5-(benzylamino)-N-butyl-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(benzylamino)-N-butyl-N-methylpyridine-3-carboxamide
PubChem CID109231838
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name5-(benzylamino)-N-butyl-N-methylpyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1cncc(NCc2ccccc2)c1
InChIInChI=1S/C18H23N3O/c1-3-4-10-21(2)18(22)16-11-17(14-19-13-16)20-12-15-8-6-5-7-9-15/h5-9,11,13-14,20H,3-4,10,12H2,1-2H3
InChIKeyWMKOYVFTOMPPMM-UHFFFAOYSA-N
XLogP3.57
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(benzylamino)-N-methyl-N-phenylpyridine-3-carboxamide
CID 109231849
N-methyl-N-(2-pyridin-4-ylethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235639
5-[benzyl(ethyl)amino]-N-butyl-N-methylpyridine-3-carboxamide
CID 109234838
5-(N-benzylanilino)-N-butyl-N-methylpyridine-3-carboxamide
CID 109240320
N-butyl-5-(2-methoxyanilino)-N-methylpyridine-3-carboxamide
CID 109240290
N-butyl-N-methyl-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109240301
3-N-butyl-5-N-ethyl-3-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide
CID 109107334
5-[(4-fluorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109233675
N,N-diethyl-5-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109238757
5-bromo-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide
CID 60793303
N-benzyl-5-[butyl(methyl)amino]pyridine-3-carboxamide
CID 109231681
N-methyl-5-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109223006

Frequently Asked Questions

What is the IUPAC name of 5-(benzylamino)-N-butyl-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-(benzylamino)-N-butyl-N-methylpyridine-3-carboxamide (CID 109231838) is 5-(benzylamino)-N-butyl-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-(benzylamino)-N-butyl-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-(benzylamino)-N-butyl-N-methylpyridine-3-carboxamide is CCCCN(C)C(=O)c1cncc(NCc2ccccc2)c1.
What is the InChIKey of 5-(benzylamino)-N-butyl-N-methylpyridine-3-carboxamide?
The InChIKey is WMKOYVFTOMPPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-3-4-10-21(2)18(22)16-11-17(14-19-13-16)20-12-15-8-6-5-7-9-15/h5-9,11,13-14,20H,3-4,10,12H2,1-2H3.
What are the key properties of 5-(benzylamino)-N-butyl-N-methylpyridine-3-carboxamide?
5-(benzylamino)-N-butyl-N-methylpyridine-3-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)-N-butyl-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 109231838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).