1-[3-(azetidin-3-yl)-4-pyridinyl]-3-methylimidazolidin-2-one

C12H16N4O — CID 168981009

IUPAC1-[3-(azetidin-3-yl)-4-pyridinyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2ccncc2C2CNC2)C1=O
InChIInChI=1S/C12H16N4O/c1-15-4-5-16(12(15)17)11-2-3-13-8-10(11)9-6-14-7-9/h2-3,8-9,14H,4-7H2,1H3
InChIKeyOXGHMISAQQICIW-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.64
Rot. Bonds2

About 1-[3-(azetidin-3-yl)-4-pyridinyl]-3-methylimidazolidin-2-one

1-[3-(azetidin-3-yl)-4-pyridinyl]-3-methylimidazolidin-2-one (PubChem CID 168981009) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-[3-(azetidin-3-yl)-4-pyridinyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[3-(azetidin-3-yl)-4-pyridinyl]-3-methylimidazolidin-2-one
PubChem CID168981009
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-[3-(azetidin-3-yl)-4-pyridinyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2ccncc2C2CNC2)C1=O
InChIInChI=1S/C12H16N4O/c1-15-4-5-16(12(15)17)11-2-3-13-8-10(11)9-6-14-7-9/h2-3,8-9,14H,4-7H2,1H3
InChIKeyOXGHMISAQQICIW-UHFFFAOYSA-N
XLogP0.64
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(azetidin-3-yl)-4-pyridinyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[3-(azetidin-3-yl)-4-pyridinyl]-3-methylimidazolidin-2-one (CID 168981009) is 1-[3-(azetidin-3-yl)-4-pyridinyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[3-(azetidin-3-yl)-4-pyridinyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[3-(azetidin-3-yl)-4-pyridinyl]-3-methylimidazolidin-2-one is CN1CCN(c2ccncc2C2CNC2)C1=O.
What is the InChIKey of 1-[3-(azetidin-3-yl)-4-pyridinyl]-3-methylimidazolidin-2-one?
The InChIKey is OXGHMISAQQICIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-15-4-5-16(12(15)17)11-2-3-13-8-10(11)9-6-14-7-9/h2-3,8-9,14H,4-7H2,1H3.
What are the key properties of 1-[3-(azetidin-3-yl)-4-pyridinyl]-3-methylimidazolidin-2-one?
1-[3-(azetidin-3-yl)-4-pyridinyl]-3-methylimidazolidin-2-one has a molecular weight of 232.29 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(azetidin-3-yl)-4-pyridinyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 168981009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).