5-amino-N-(3-phenylpropyl)pyridine-2-carboxamide

C15H17N3O — CID 81316646

IUPAC5-amino-N-(3-phenylpropyl)pyridine-2-carboxamide
SMILESNc1ccc(C(=O)NCCCc2ccccc2)nc1
InChIInChI=1S/C15H17N3O/c16-13-8-9-14(18-11-13)15(19)17-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10,16H2,(H,17,19)
InChIKeyJSPDWHGSBBAOLR-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.03
Rot. Bonds5

About 5-amino-N-(3-phenylpropyl)pyridine-2-carboxamide

5-amino-N-(3-phenylpropyl)pyridine-2-carboxamide (PubChem CID 81316646) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-amino-N-(3-phenylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-phenylpropyl)pyridine-2-carboxamide
PubChem CID81316646
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name5-amino-N-(3-phenylpropyl)pyridine-2-carboxamide
SMILESNc1ccc(C(=O)NCCCc2ccccc2)nc1
InChIInChI=1S/C15H17N3O/c16-13-8-9-14(18-11-13)15(19)17-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10,16H2,(H,17,19)
InChIKeyJSPDWHGSBBAOLR-UHFFFAOYSA-N
XLogP2.03
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.03
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-amino-N-(3-phenoxypropyl)pyridine-2-carboxamide
CID 81315932
5-anilino-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194849
5-amino-N-(5-hydroxypentyl)pyridine-2-carboxamide
CID 107316260
5-hydrazinyl-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 107377524
4-amino-N-(3-phenylpropyl)benzamide
CID 10658614
5-(pentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194843
5-(2-methoxyethylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109184071
5-(N-ethylanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194856
5-(cyclopentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109182409
N-[2-(4-fluorophenyl)ethyl]-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109192324
6-chloro-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 103186748
5-amino-N-(3-cyclopentylpropyl)pyridine-2-carboxamide
CID 106006309

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-phenylpropyl)pyridine-2-carboxamide?
The IUPAC name of 5-amino-N-(3-phenylpropyl)pyridine-2-carboxamide (CID 81316646) is 5-amino-N-(3-phenylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-N-(3-phenylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-amino-N-(3-phenylpropyl)pyridine-2-carboxamide is Nc1ccc(C(=O)NCCCc2ccccc2)nc1.
What is the InChIKey of 5-amino-N-(3-phenylpropyl)pyridine-2-carboxamide?
The InChIKey is JSPDWHGSBBAOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c16-13-8-9-14(18-11-13)15(19)17-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10,16H2,(H,17,19).
What are the key properties of 5-amino-N-(3-phenylpropyl)pyridine-2-carboxamide?
5-amino-N-(3-phenylpropyl)pyridine-2-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-phenylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 81316646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).