5-(N-benzylanilino)-N-butylpyridine-3-carboxamide

C23H25N3O — CID 109224497

IUPAC5-(N-benzylanilino)-N-butylpyridine-3-carboxamide
SMILESCCCCNC(=O)c1cncc(N(Cc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H25N3O/c1-2-3-14-25-23(27)20-15-22(17-24-16-20)26(21-12-8-5-9-13-21)18-19-10-6-4-7-11-19/h4-13,15-17H,2-3,14,18H2,1H3,(H,25,27)
InChIKeyOMBPAXRYCIPYKS-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.95
Rot. Bonds8

About 5-(N-benzylanilino)-N-butylpyridine-3-carboxamide

5-(N-benzylanilino)-N-butylpyridine-3-carboxamide (PubChem CID 109224497) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 5-(N-benzylanilino)-N-butylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(N-benzylanilino)-N-butylpyridine-3-carboxamide
PubChem CID109224497
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name5-(N-benzylanilino)-N-butylpyridine-3-carboxamide
SMILESCCCCNC(=O)c1cncc(N(Cc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H25N3O/c1-2-3-14-25-23(27)20-15-22(17-24-16-20)26(21-12-8-5-9-13-21)18-19-10-6-4-7-11-19/h4-13,15-17H,2-3,14,18H2,1H3,(H,25,27)
InChIKeyOMBPAXRYCIPYKS-UHFFFAOYSA-N
XLogP4.95
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(N-benzylanilino)-N-butyl-N-methylpyridine-3-carboxamide
CID 109240320
5-(N-benzylanilino)-N-prop-2-enylpyridine-3-carboxamide
CID 109224105
N-benzyl-5-(N-ethylanilino)pyridine-3-carboxamide
CID 109231703
5-(N-benzylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109246079
2-(N-benzylanilino)-N-butyl-6-methylpyrimidine-4-carboxamide
CID 109320759
5-(N-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109235813
N-benzyl-5-[butyl(methyl)amino]pyridine-3-carboxamide
CID 109231681
N-benzyl-5-(N-ethylanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109239700
2-N-benzyl-4-N-butyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109079334
5-N-benzyl-5-N-ethyl-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105843
N-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109224385
3-N-butyl-5-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109101925

Frequently Asked Questions

What is the IUPAC name of 5-(N-benzylanilino)-N-butylpyridine-3-carboxamide?
The IUPAC name of 5-(N-benzylanilino)-N-butylpyridine-3-carboxamide (CID 109224497) is 5-(N-benzylanilino)-N-butylpyridine-3-carboxamide.
What is the SMILES notation for 5-(N-benzylanilino)-N-butylpyridine-3-carboxamide?
The canonical SMILES for 5-(N-benzylanilino)-N-butylpyridine-3-carboxamide is CCCCNC(=O)c1cncc(N(Cc2ccccc2)c2ccccc2)c1.
What is the InChIKey of 5-(N-benzylanilino)-N-butylpyridine-3-carboxamide?
The InChIKey is OMBPAXRYCIPYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-2-3-14-25-23(27)20-15-22(17-24-16-20)26(21-12-8-5-9-13-21)18-19-10-6-4-7-11-19/h4-13,15-17H,2-3,14,18H2,1H3,(H,25,27).
What are the key properties of 5-(N-benzylanilino)-N-butylpyridine-3-carboxamide?
5-(N-benzylanilino)-N-butylpyridine-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-benzylanilino)-N-butylpyridine-3-carboxamide is sourced from PubChem (CID 109224497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).