N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide

C17H19N3O — CID 650959

IUPACN-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1cccnc1
InChIInChI=1S/C17H19N3O/c21-17(14-5-4-10-18-13-14)19-15-6-8-16(9-7-15)20-11-2-1-3-12-20/h4-10,13H,1-3,11-12H2,(H,19,21)
InChIKeyLXFFUJCYWBVJBW-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.32
Rot. Bonds3

About N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide

N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide (PubChem CID 650959) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
PubChem CID650959
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1cccnc1
InChIInChI=1S/C17H19N3O/c21-17(14-5-4-10-18-13-14)19-15-6-8-16(9-7-15)20-11-2-1-3-12-20/h4-10,13H,1-3,11-12H2,(H,19,21)
InChIKeyLXFFUJCYWBVJBW-UHFFFAOYSA-N
XLogP3.32
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide (CID 650959) is N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide is O=C(Nc1ccc(N2CCCCC2)cc1)c1cccnc1.
What is the InChIKey of N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide?
The InChIKey is LXFFUJCYWBVJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c21-17(14-5-4-10-18-13-14)19-15-6-8-16(9-7-15)20-11-2-1-3-12-20/h4-10,13H,1-3,11-12H2,(H,19,21).
What are the key properties of N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide?
N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 650959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).