1-(3-amino-4-pyridinyl)azetidin-2-one

C8H9N3O — CID 107342126

IUPAC1-(3-amino-4-pyridinyl)azetidin-2-one
SMILESNc1cnccc1N1CCC1=O
InChIInChI=1S/C8H9N3O/c9-6-5-10-3-1-7(6)11-4-2-8(11)12/h1,3,5H,2,4,9H2
InChIKeyGXXJFFBFCPSNOL-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.40
Rot. Bonds1

About 1-(3-amino-4-pyridinyl)azetidin-2-one

1-(3-amino-4-pyridinyl)azetidin-2-one (PubChem CID 107342126) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 1-(3-amino-4-pyridinyl)azetidin-2-one.

Molecular Properties

Compound Name1-(3-amino-4-pyridinyl)azetidin-2-one
PubChem CID107342126
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name1-(3-amino-4-pyridinyl)azetidin-2-one
SMILESNc1cnccc1N1CCC1=O
InChIInChI=1S/C8H9N3O/c9-6-5-10-3-1-7(6)11-4-2-8(11)12/h1,3,5H,2,4,9H2
InChIKeyGXXJFFBFCPSNOL-UHFFFAOYSA-N
XLogP0.40
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azetidin-1-yl)pyridin-3-amine
CID 115011771
4-piperidin-1-ylpyridin-3-amine;dihydrochloride
CID 86277783
4-(2,5-dihydropyrrol-1-yl)pyridin-3-amine
CID 79688892
4-(1,1-dioxo-1,2-thiazolidin-2-yl)pyridin-3-amine
CID 63061752
2-(3-amino-4-pyridinyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 63303443
1-(3-amino-4-pyridinyl)-3,3-diethylpyrrolidine-2,5-dione
CID 63063639
2-(3-amino-4-pyridinyl)-5-(trifluoromethyl)-4H-pyrazol-3-one
CID 131874581
4-pyrrol-1-ylpyridin-3-amine
CID 63062600
2-(3-amino-4-pyridinyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114391467
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridin-3-amine
CID 28889917
7-(3-amino-4-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091949
5-amino-4-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136979394

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-pyridinyl)azetidin-2-one?
The IUPAC name of 1-(3-amino-4-pyridinyl)azetidin-2-one (CID 107342126) is 1-(3-amino-4-pyridinyl)azetidin-2-one.
What is the SMILES notation for 1-(3-amino-4-pyridinyl)azetidin-2-one?
The canonical SMILES for 1-(3-amino-4-pyridinyl)azetidin-2-one is Nc1cnccc1N1CCC1=O.
What is the InChIKey of 1-(3-amino-4-pyridinyl)azetidin-2-one?
The InChIKey is GXXJFFBFCPSNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c9-6-5-10-3-1-7(6)11-4-2-8(11)12/h1,3,5H,2,4,9H2.
What are the key properties of 1-(3-amino-4-pyridinyl)azetidin-2-one?
1-(3-amino-4-pyridinyl)azetidin-2-one has a molecular weight of 163.18 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-pyridinyl)azetidin-2-one is sourced from PubChem (CID 107342126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).