1-(2-amino-3-pyridinyl)-3-(azetidin-3-yl)propan-2-one

C11H15N3O — CID 116582450

IUPAC1-(2-amino-3-pyridinyl)-3-(azetidin-3-yl)propan-2-one
SMILESNc1ncccc1CC(=O)CC1CNC1
InChIInChI=1S/C11H15N3O/c12-11-9(2-1-3-14-11)5-10(15)4-8-6-13-7-8/h1-3,8,13H,4-7H2,(H2,12,14)
InChIKeyHBOLITNSVXAQMF-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.38
Rot. Bonds4

About 1-(2-amino-3-pyridinyl)-3-(azetidin-3-yl)propan-2-one

1-(2-amino-3-pyridinyl)-3-(azetidin-3-yl)propan-2-one (PubChem CID 116582450) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(2-amino-3-pyridinyl)-3-(azetidin-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-amino-3-pyridinyl)-3-(azetidin-3-yl)propan-2-one
PubChem CID116582450
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-(2-amino-3-pyridinyl)-3-(azetidin-3-yl)propan-2-one
SMILESNc1ncccc1CC(=O)CC1CNC1
InChIInChI=1S/C11H15N3O/c12-11-9(2-1-3-14-11)5-10(15)4-8-6-13-7-8/h1-3,8,13H,4-7H2,(H2,12,14)
InChIKeyHBOLITNSVXAQMF-UHFFFAOYSA-N
XLogP0.38
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-amino-3-pyridinyl)-3-(azetidin-3-yl)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-amino-3-pyridinyl)-3-cyclopentylsulfanylpropan-2-one
CID 65138744
2-(2-amino-3-pyridinyl)-1-piperidin-3-ylethanone
CID 116548123
2-(2-amino-3-pyridinyl)-1-[1-(azetidin-3-yl)triazol-4-yl]ethanone
CID 116590781
2-(azetidin-3-yl)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
CID 82738136
2-(2-amino-3-pyridinyl)acetohydrazide
CID 130616635
2-(2-amino-3-pyridinyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanone
CID 116550378
2-(2-amino-3-pyridinyl)-1-(3-amino-2-pyridinyl)ethanone
CID 116613939
2-(2-amino-3-pyridinyl)acetohydrazide;hydrochloride
CID 130616634
1-(2-amino-3-pyridinyl)-5-(methylamino)pentan-2-one
CID 116555763
2-(2-amino-3-pyridinyl)-N-methylacetamide;hydrochloride
CID 130695658
2-(2-amino-3-pyridinyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone
CID 116549873
N-[(2-amino-3-pyridinyl)methyl]-4-piperidin-3-ylbenzamide
CID 72890769

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-pyridinyl)-3-(azetidin-3-yl)propan-2-one?
The IUPAC name of 1-(2-amino-3-pyridinyl)-3-(azetidin-3-yl)propan-2-one (CID 116582450) is 1-(2-amino-3-pyridinyl)-3-(azetidin-3-yl)propan-2-one.
What is the SMILES notation for 1-(2-amino-3-pyridinyl)-3-(azetidin-3-yl)propan-2-one?
The canonical SMILES for 1-(2-amino-3-pyridinyl)-3-(azetidin-3-yl)propan-2-one is Nc1ncccc1CC(=O)CC1CNC1.
What is the InChIKey of 1-(2-amino-3-pyridinyl)-3-(azetidin-3-yl)propan-2-one?
The InChIKey is HBOLITNSVXAQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c12-11-9(2-1-3-14-11)5-10(15)4-8-6-13-7-8/h1-3,8,13H,4-7H2,(H2,12,14).
What are the key properties of 1-(2-amino-3-pyridinyl)-3-(azetidin-3-yl)propan-2-one?
1-(2-amino-3-pyridinyl)-3-(azetidin-3-yl)propan-2-one has a molecular weight of 205.26 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-pyridinyl)-3-(azetidin-3-yl)propan-2-one is sourced from PubChem (CID 116582450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).