5-[(4-methylphenyl)methylamino]-N-propylpyridine-3-carboxamide

C17H21N3O — CID 109222786

IUPAC5-[(4-methylphenyl)methylamino]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cncc(NCc2ccc(C)cc2)c1
InChIInChI=1S/C17H21N3O/c1-3-8-19-17(21)15-9-16(12-18-11-15)20-10-14-6-4-13(2)5-7-14/h4-7,9,11-12,20H,3,8,10H2,1-2H3,(H,19,21)
InChIKeyGZFDHYQXLPPTFA-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.14
Rot. Bonds6

About 5-[(4-methylphenyl)methylamino]-N-propylpyridine-3-carboxamide

5-[(4-methylphenyl)methylamino]-N-propylpyridine-3-carboxamide (PubChem CID 109222786) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 5-[(4-methylphenyl)methylamino]-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(4-methylphenyl)methylamino]-N-propylpyridine-3-carboxamide
PubChem CID109222786
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name5-[(4-methylphenyl)methylamino]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cncc(NCc2ccc(C)cc2)c1
InChIInChI=1S/C17H21N3O/c1-3-8-19-17(21)15-9-16(12-18-11-15)20-10-14-6-4-13(2)5-7-14/h4-7,9,11-12,20H,3,8,10H2,1-2H3,(H,19,21)
InChIKeyGZFDHYQXLPPTFA-UHFFFAOYSA-N
XLogP3.14
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109224364
N-(2-methoxyethyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109227649
N-[2-(dimethylamino)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109229098
N-[(4-methylphenyl)methyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109232496
3-[(4-methylphenyl)methylamino]-N-propylbenzamide
CID 43675970
N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232216
N-[2-(3-chlorophenyl)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232662
N-butyl-5-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109224372
5-[(4-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide
CID 109232664
5-[2-(dimethylamino)ethylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109229278
5-(butylamino)-N-propylpyridine-3-carboxamide
CID 109222762
N-(2,4-dimethylphenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232671

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)methylamino]-N-propylpyridine-3-carboxamide?
The IUPAC name of 5-[(4-methylphenyl)methylamino]-N-propylpyridine-3-carboxamide (CID 109222786) is 5-[(4-methylphenyl)methylamino]-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 5-[(4-methylphenyl)methylamino]-N-propylpyridine-3-carboxamide?
The canonical SMILES for 5-[(4-methylphenyl)methylamino]-N-propylpyridine-3-carboxamide is CCCNC(=O)c1cncc(NCc2ccc(C)cc2)c1.
What is the InChIKey of 5-[(4-methylphenyl)methylamino]-N-propylpyridine-3-carboxamide?
The InChIKey is GZFDHYQXLPPTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-8-19-17(21)15-9-16(12-18-11-15)20-10-14-6-4-13(2)5-7-14/h4-7,9,11-12,20H,3,8,10H2,1-2H3,(H,19,21).
What are the key properties of 5-[(4-methylphenyl)methylamino]-N-propylpyridine-3-carboxamide?
5-[(4-methylphenyl)methylamino]-N-propylpyridine-3-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)methylamino]-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 109222786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).