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

C18H23N3O — CID 109224364

IUPACN-butyl-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCCCCNC(=O)c1cncc(NCc2ccc(C)cc2)c1
InChIInChI=1S/C18H23N3O/c1-3-4-9-20-18(22)16-10-17(13-19-12-16)21-11-15-7-5-14(2)6-8-15/h5-8,10,12-13,21H,3-4,9,11H2,1-2H3,(H,20,22)
InChIKeyLLVWBBQHPUSDOD-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.53
Rot. Bonds7

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

N-butyl-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide (PubChem CID 109224364) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-butyl-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
PubChem CID109224364
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-butyl-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCCCCNC(=O)c1cncc(NCc2ccc(C)cc2)c1
InChIInChI=1S/C18H23N3O/c1-3-4-9-20-18(22)16-10-17(13-19-12-16)21-11-15-7-5-14(2)6-8-15/h5-8,10,12-13,21H,3-4,9,11H2,1-2H3,(H,20,22)
InChIKeyLLVWBBQHPUSDOD-UHFFFAOYSA-N
XLogP3.53
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-methylphenyl)methylamino]-N-propylpyridine-3-carboxamide
CID 109222786
N-butyl-5-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109224372
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
N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232216
N-butyl-5-(4-methylphenyl)pyridine-3-carboxamide
CID 53020757
5-(butylamino)-N-propylpyridine-3-carboxamide
CID 109222762
N-[2-(3-chlorophenyl)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232662
5-[(4-chlorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228025
5-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109229900
5-[(4-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide
CID 109232664

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-butyl-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide (CID 109224364) is N-butyl-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-butyl-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-butyl-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide is CCCCNC(=O)c1cncc(NCc2ccc(C)cc2)c1.
What is the InChIKey of N-butyl-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is LLVWBBQHPUSDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-3-4-9-20-18(22)16-10-17(13-19-12-16)21-11-15-7-5-14(2)6-8-15/h5-8,10,12-13,21H,3-4,9,11H2,1-2H3,(H,20,22).
What are the key properties of N-butyl-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide?
N-butyl-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109224364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).