4-(methylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide

C16H19N3O — CID 62181098

IUPAC4-(methylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
SMILESCNc1ccnc(C(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C16H19N3O/c1-17-14-9-11-18-15(12-14)16(20)19-10-5-8-13-6-3-2-4-7-13/h2-4,6-7,9,11-12H,5,8,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyZMAPOJAXGYPKAK-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.49
Rot. Bonds6

About 4-(methylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide

4-(methylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide (PubChem CID 62181098) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-(methylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(methylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
PubChem CID62181098
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-(methylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
SMILESCNc1ccnc(C(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C16H19N3O/c1-17-14-9-11-18-15(12-14)16(20)19-10-5-8-13-6-3-2-4-7-13/h2-4,6-7,9,11-12H,5,8,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyZMAPOJAXGYPKAK-UHFFFAOYSA-N
XLogP2.49
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.49
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

4-anilino-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109216627
N-[3-(dimethylamino)propyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109207769
4-(4-acetamidoanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109216656
4-[2-(4-fluorophenyl)ethylamino]-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109214186
4-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109216673
N-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213524
methyl 2-[[2-(3-phenylpropylcarbamoyl)-4-pyridinyl]amino]benzoate
CID 109216657
4-N-(2-methylpropyl)-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109079626
N-[(2-fluorophenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109211160
4-(methylamino)-N-(3-phenylbutyl)pyridine-2-carboxamide
CID 62986653
2-N-phenyl-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089027
4-[4-(dimethylamino)anilino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213610

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide?
The IUPAC name of 4-(methylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide (CID 62181098) is 4-(methylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(methylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(methylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide is CNc1ccnc(C(=O)NCCCc2ccccc2)c1.
What is the InChIKey of 4-(methylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide?
The InChIKey is ZMAPOJAXGYPKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-17-14-9-11-18-15(12-14)16(20)19-10-5-8-13-6-3-2-4-7-13/h2-4,6-7,9,11-12H,5,8,10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-(methylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide?
4-(methylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 62181098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).