2-oxo-N-pyridin-4-ylpiperidine-3-carboxamide

C11H13N3O2 — CID 3137671

IUPAC2-oxo-N-pyridin-4-ylpiperidine-3-carboxamide
SMILESO=C1NCCCC1C(=O)Nc1ccncc1
InChIInChI=1S/C11H13N3O2/c15-10-9(2-1-5-13-10)11(16)14-8-3-6-12-7-4-8/h3-4,6-7,9H,1-2,5H2,(H,13,15)(H,12,14,16)
InChIKeyAUTULXJWVIWTGD-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.55
Rot. Bonds2

About 2-oxo-N-pyridin-4-ylpiperidine-3-carboxamide

2-oxo-N-pyridin-4-ylpiperidine-3-carboxamide (PubChem CID 3137671) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-oxo-N-pyridin-4-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-pyridin-4-ylpiperidine-3-carboxamide
PubChem CID3137671
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-oxo-N-pyridin-4-ylpiperidine-3-carboxamide
SMILESO=C1NCCCC1C(=O)Nc1ccncc1
InChIInChI=1S/C11H13N3O2/c15-10-9(2-1-5-13-10)11(16)14-8-3-6-12-7-4-8/h3-4,6-7,9H,1-2,5H2,(H,13,15)(H,12,14,16)
InChIKeyAUTULXJWVIWTGD-UHFFFAOYSA-N
XLogP0.55
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-pyridin-4-ylpiperidine-3-carboxamide?
The IUPAC name of 2-oxo-N-pyridin-4-ylpiperidine-3-carboxamide (CID 3137671) is 2-oxo-N-pyridin-4-ylpiperidine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-pyridin-4-ylpiperidine-3-carboxamide?
The canonical SMILES for 2-oxo-N-pyridin-4-ylpiperidine-3-carboxamide is O=C1NCCCC1C(=O)Nc1ccncc1.
What is the InChIKey of 2-oxo-N-pyridin-4-ylpiperidine-3-carboxamide?
The InChIKey is AUTULXJWVIWTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c15-10-9(2-1-5-13-10)11(16)14-8-3-6-12-7-4-8/h3-4,6-7,9H,1-2,5H2,(H,13,15)(H,12,14,16).
What are the key properties of 2-oxo-N-pyridin-4-ylpiperidine-3-carboxamide?
2-oxo-N-pyridin-4-ylpiperidine-3-carboxamide has a molecular weight of 219.24 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-pyridin-4-ylpiperidine-3-carboxamide is sourced from PubChem (CID 3137671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).