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

C24H27N3O — CID 109240320

IUPAC5-(N-benzylanilino)-N-butyl-N-methylpyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1cncc(N(Cc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H27N3O/c1-3-4-15-26(2)24(28)21-16-23(18-25-17-21)27(22-13-9-6-10-14-22)19-20-11-7-5-8-12-20/h5-14,16-18H,3-4,15,19H2,1-2H3
InChIKeyBWMGGIJGKKTLAK-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.29
Rot. Bonds8

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

5-(N-benzylanilino)-N-butyl-N-methylpyridine-3-carboxamide (PubChem CID 109240320) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 5-(N-benzylanilino)-N-butyl-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(N-benzylanilino)-N-butyl-N-methylpyridine-3-carboxamide
PubChem CID109240320
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name5-(N-benzylanilino)-N-butyl-N-methylpyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1cncc(N(Cc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H27N3O/c1-3-4-15-26(2)24(28)21-16-23(18-25-17-21)27(22-13-9-6-10-14-22)19-20-11-7-5-8-12-20/h5-14,16-18H,3-4,15,19H2,1-2H3
InChIKeyBWMGGIJGKKTLAK-UHFFFAOYSA-N
XLogP5.29
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[benzyl(ethyl)amino]-N-butyl-N-methylpyridine-3-carboxamide
CID 109234838
5-(N-benzylanilino)-N-butylpyridine-3-carboxamide
CID 109224497
3-N-butyl-5-N-ethyl-3-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide
CID 109107334
5-(benzylamino)-N-butyl-N-methylpyridine-3-carboxamide
CID 109231838
2-(N-benzylanilino)-N-butyl-N,6-dimethylpyrimidine-4-carboxamide
CID 109333713
5-(N-benzylanilino)-N-prop-2-enylpyridine-3-carboxamide
CID 109224105
5-bromo-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide
CID 60793303
N-benzyl-5-(N-ethylanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109239700
N-benzyl-5-[butyl(methyl)amino]pyridine-3-carboxamide
CID 109231681
5-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-3-carboxamide
CID 109240243
N-ethyl-5-(N-ethylanilino)-N-phenylpyridine-3-carboxamide
CID 109243544
N-butyl-5-hydroxy-N-phenylpyridine-3-carboxamide
CID 64586177

Frequently Asked Questions

What is the IUPAC name of 5-(N-benzylanilino)-N-butyl-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-(N-benzylanilino)-N-butyl-N-methylpyridine-3-carboxamide (CID 109240320) is 5-(N-benzylanilino)-N-butyl-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-(N-benzylanilino)-N-butyl-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-(N-benzylanilino)-N-butyl-N-methylpyridine-3-carboxamide is CCCCN(C)C(=O)c1cncc(N(Cc2ccccc2)c2ccccc2)c1.
What is the InChIKey of 5-(N-benzylanilino)-N-butyl-N-methylpyridine-3-carboxamide?
The InChIKey is BWMGGIJGKKTLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-3-4-15-26(2)24(28)21-16-23(18-25-17-21)27(22-13-9-6-10-14-22)19-20-11-7-5-8-12-20/h5-14,16-18H,3-4,15,19H2,1-2H3.
What are the key properties of 5-(N-benzylanilino)-N-butyl-N-methylpyridine-3-carboxamide?
5-(N-benzylanilino)-N-butyl-N-methylpyridine-3-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 5.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-benzylanilino)-N-butyl-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 109240320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).