6-oxo-N-(3-piperidin-1-ylpropyl)-1H-pyridine-3-carboxamide

C14H21N3O2 — CID 43400565

IUPAC6-oxo-N-(3-piperidin-1-ylpropyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCCCN1CCCCC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H21N3O2/c18-13-6-5-12(11-16-13)14(19)15-7-4-10-17-8-2-1-3-9-17/h5-6,11H,1-4,7-10H2,(H,15,19)(H,16,18)
InChIKeyPQKVIXUMAWWCQL-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.98
Rot. Bonds5

About 6-oxo-N-(3-piperidin-1-ylpropyl)-1H-pyridine-3-carboxamide

6-oxo-N-(3-piperidin-1-ylpropyl)-1H-pyridine-3-carboxamide (PubChem CID 43400565) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-oxo-N-(3-piperidin-1-ylpropyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(3-piperidin-1-ylpropyl)-1H-pyridine-3-carboxamide
PubChem CID43400565
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name6-oxo-N-(3-piperidin-1-ylpropyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCCCN1CCCCC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H21N3O2/c18-13-6-5-12(11-16-13)14(19)15-7-4-10-17-8-2-1-3-9-17/h5-6,11H,1-4,7-10H2,(H,15,19)(H,16,18)
InChIKeyPQKVIXUMAWWCQL-UHFFFAOYSA-N
XLogP0.98
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.98
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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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(3-piperidin-1-ylpropyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-(3-piperidin-1-ylpropyl)-1H-pyridine-3-carboxamide (CID 43400565) is 6-oxo-N-(3-piperidin-1-ylpropyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(3-piperidin-1-ylpropyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(3-piperidin-1-ylpropyl)-1H-pyridine-3-carboxamide is O=C(NCCCN1CCCCC1)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-(3-piperidin-1-ylpropyl)-1H-pyridine-3-carboxamide?
The InChIKey is PQKVIXUMAWWCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c18-13-6-5-12(11-16-13)14(19)15-7-4-10-17-8-2-1-3-9-17/h5-6,11H,1-4,7-10H2,(H,15,19)(H,16,18).
What are the key properties of 6-oxo-N-(3-piperidin-1-ylpropyl)-1H-pyridine-3-carboxamide?
6-oxo-N-(3-piperidin-1-ylpropyl)-1H-pyridine-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(3-piperidin-1-ylpropyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 43400565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).