N-(3-phenylpropyl)pyridine-3-carboxamide

C15H16N2O — CID 4648643

IUPACN-(3-phenylpropyl)pyridine-3-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cccnc1
InChIInChI=1S/C15H16N2O/c18-15(14-9-5-10-16-12-14)17-11-4-8-13-6-2-1-3-7-13/h1-3,5-7,9-10,12H,4,8,11H2,(H,17,18)
InChIKeyDGVNUZBITSWBPL-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.44
Rot. Bonds5

About N-(3-phenylpropyl)pyridine-3-carboxamide

N-(3-phenylpropyl)pyridine-3-carboxamide (PubChem CID 4648643) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is N-(3-phenylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)pyridine-3-carboxamide
PubChem CID4648643
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC NameN-(3-phenylpropyl)pyridine-3-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cccnc1
InChIInChI=1S/C15H16N2O/c18-15(14-9-5-10-16-12-14)17-11-4-8-13-6-2-1-3-7-13/h1-3,5-7,9-10,12H,4,8,11H2,(H,17,18)
InChIKeyDGVNUZBITSWBPL-UHFFFAOYSA-N
XLogP2.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-phenylpropyl)pyridine-3-carboxamide (CID 4648643) is N-(3-phenylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-phenylpropyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-phenylpropyl)pyridine-3-carboxamide is O=C(NCCCc1ccccc1)c1cccnc1.
What is the InChIKey of N-(3-phenylpropyl)pyridine-3-carboxamide?
The InChIKey is DGVNUZBITSWBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c18-15(14-9-5-10-16-12-14)17-11-4-8-13-6-2-1-3-7-13/h1-3,5-7,9-10,12H,4,8,11H2,(H,17,18).
What are the key properties of N-(3-phenylpropyl)pyridine-3-carboxamide?
N-(3-phenylpropyl)pyridine-3-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 4648643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).