1-[2-(azetidin-1-yl)ethyl]-2-oxopyridine-3-carboxamide

C11H15N3O2 — CID 18766877

IUPAC1-[2-(azetidin-1-yl)ethyl]-2-oxopyridine-3-carboxamide
SMILESNC(=O)c1cccn(CCN2CCC2)c1=O
InChIInChI=1S/C11H15N3O2/c12-10(15)9-3-1-6-14(11(9)16)8-7-13-4-2-5-13/h1,3,6H,2,4-5,7-8H2,(H2,12,15)
InChIKeyPVZBZOBVYQPVES-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.35
Rot. Bonds4

About 1-[2-(azetidin-1-yl)ethyl]-2-oxopyridine-3-carboxamide

1-[2-(azetidin-1-yl)ethyl]-2-oxopyridine-3-carboxamide (PubChem CID 18766877) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-[2-(azetidin-1-yl)ethyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(azetidin-1-yl)ethyl]-2-oxopyridine-3-carboxamide
PubChem CID18766877
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-[2-(azetidin-1-yl)ethyl]-2-oxopyridine-3-carboxamide
SMILESNC(=O)c1cccn(CCN2CCC2)c1=O
InChIInChI=1S/C11H15N3O2/c12-10(15)9-3-1-6-14(11(9)16)8-7-13-4-2-5-13/h1,3,6H,2,4-5,7-8H2,(H2,12,15)
InChIKeyPVZBZOBVYQPVES-UHFFFAOYSA-N
XLogP-0.35
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-1-yl)ethyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[2-(azetidin-1-yl)ethyl]-2-oxopyridine-3-carboxamide (CID 18766877) is 1-[2-(azetidin-1-yl)ethyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[2-(azetidin-1-yl)ethyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[2-(azetidin-1-yl)ethyl]-2-oxopyridine-3-carboxamide is NC(=O)c1cccn(CCN2CCC2)c1=O.
What is the InChIKey of 1-[2-(azetidin-1-yl)ethyl]-2-oxopyridine-3-carboxamide?
The InChIKey is PVZBZOBVYQPVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c12-10(15)9-3-1-6-14(11(9)16)8-7-13-4-2-5-13/h1,3,6H,2,4-5,7-8H2,(H2,12,15).
What are the key properties of 1-[2-(azetidin-1-yl)ethyl]-2-oxopyridine-3-carboxamide?
1-[2-(azetidin-1-yl)ethyl]-2-oxopyridine-3-carboxamide has a molecular weight of 221.26 g/mol, XLogP of -0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-1-yl)ethyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 18766877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).