N-(2-oxo-1H-pyridin-3-yl)azocane-1-carboxamide

C13H19N3O2 — CID 72891240

IUPACN-(2-oxo-1H-pyridin-3-yl)azocane-1-carboxamide
SMILESO=C(Nc1ccc[nH]c1=O)N1CCCCCCC1
InChIInChI=1S/C13H19N3O2/c17-12-11(7-6-8-14-12)15-13(18)16-9-4-2-1-3-5-10-16/h6-8H,1-5,9-10H2,(H,14,17)(H,15,18)
InChIKeyGHSBQXVOEMRIIO-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.17
Rot. Bonds1

About N-(2-oxo-1H-pyridin-3-yl)azocane-1-carboxamide

N-(2-oxo-1H-pyridin-3-yl)azocane-1-carboxamide (PubChem CID 72891240) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(2-oxo-1H-pyridin-3-yl)azocane-1-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-1H-pyridin-3-yl)azocane-1-carboxamide
PubChem CID72891240
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(2-oxo-1H-pyridin-3-yl)azocane-1-carboxamide
SMILESO=C(Nc1ccc[nH]c1=O)N1CCCCCCC1
InChIInChI=1S/C13H19N3O2/c17-12-11(7-6-8-14-12)15-13(18)16-9-4-2-1-3-5-10-16/h6-8H,1-5,9-10H2,(H,14,17)(H,15,18)
InChIKeyGHSBQXVOEMRIIO-UHFFFAOYSA-N
XLogP2.17
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1H-pyridin-3-yl)azocane-1-carboxamide?
The IUPAC name of N-(2-oxo-1H-pyridin-3-yl)azocane-1-carboxamide (CID 72891240) is N-(2-oxo-1H-pyridin-3-yl)azocane-1-carboxamide.
What is the SMILES notation for N-(2-oxo-1H-pyridin-3-yl)azocane-1-carboxamide?
The canonical SMILES for N-(2-oxo-1H-pyridin-3-yl)azocane-1-carboxamide is O=C(Nc1ccc[nH]c1=O)N1CCCCCCC1.
What is the InChIKey of N-(2-oxo-1H-pyridin-3-yl)azocane-1-carboxamide?
The InChIKey is GHSBQXVOEMRIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-12-11(7-6-8-14-12)15-13(18)16-9-4-2-1-3-5-10-16/h6-8H,1-5,9-10H2,(H,14,17)(H,15,18).
What are the key properties of N-(2-oxo-1H-pyridin-3-yl)azocane-1-carboxamide?
N-(2-oxo-1H-pyridin-3-yl)azocane-1-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 2.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1H-pyridin-3-yl)azocane-1-carboxamide is sourced from PubChem (CID 72891240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).