(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-methyl-4-pyridinyl)methanone

C13H16N2O2 — CID 106753419

IUPAC(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-methyl-4-pyridinyl)methanone
SMILESCc1cc(C(=O)N2CC(O)(C3CC3)C2)ccn1
InChIInChI=1S/C13H16N2O2/c1-9-6-10(4-5-14-9)12(16)15-7-13(17,8-15)11-2-3-11/h4-6,11,17H,2-3,7-8H2,1H3
InChIKeyLEOJVKWAGBAMCY-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.99
Rot. Bonds2

About (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-methyl-4-pyridinyl)methanone

(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-methyl-4-pyridinyl)methanone (PubChem CID 106753419) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-methyl-4-pyridinyl)methanone.

Molecular Properties

Compound Name(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-methyl-4-pyridinyl)methanone
PubChem CID106753419
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-methyl-4-pyridinyl)methanone
SMILESCc1cc(C(=O)N2CC(O)(C3CC3)C2)ccn1
InChIInChI=1S/C13H16N2O2/c1-9-6-10(4-5-14-9)12(16)15-7-13(17,8-15)11-2-3-11/h4-6,11,17H,2-3,7-8H2,1H3
InChIKeyLEOJVKWAGBAMCY-UHFFFAOYSA-N
XLogP0.99
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,5-diaminophenyl)methanone
CID 107210418
[3-(methylamino)pyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone
CID 106753716
(4-hydroxy-4-methylazepan-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 107406591
(3-aminopiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 106752260
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(5-fluoro-3-pyridinyl)methanone
CID 104786148
3-(3-cyclopropyl-3-hydroxyazetidine-1-carbonyl)-N-methylbenzenesulfonamide
CID 139007574
(3-ethyl-4-hydroxypiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 106753502
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyl-4-pyridinyl)methanone
CID 106753478
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-fluoro-3-pyridinyl)methanone
CID 114037863
4-ethyl-1-(2-methylpyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 106752604
9-(2-methylpyridine-4-carbonyl)-3,9-diazaspiro[5.5]undecane-2,4-dione
CID 155579356
1-(2-methylpyridine-4-carbonyl)piperidin-3-one
CID 106753061

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-methyl-4-pyridinyl)methanone?
The IUPAC name of (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-methyl-4-pyridinyl)methanone (CID 106753419) is (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-methyl-4-pyridinyl)methanone.
What is the SMILES notation for (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-methyl-4-pyridinyl)methanone?
The canonical SMILES for (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-methyl-4-pyridinyl)methanone is Cc1cc(C(=O)N2CC(O)(C3CC3)C2)ccn1.
What is the InChIKey of (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-methyl-4-pyridinyl)methanone?
The InChIKey is LEOJVKWAGBAMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9-6-10(4-5-14-9)12(16)15-7-13(17,8-15)11-2-3-11/h4-6,11,17H,2-3,7-8H2,1H3.
What are the key properties of (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-methyl-4-pyridinyl)methanone?
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-methyl-4-pyridinyl)methanone has a molecular weight of 232.28 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-methyl-4-pyridinyl)methanone is sourced from PubChem (CID 106753419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).