cyclopropyl-[3-[(2-propan-2-yl-4-pyridinyl)amino]azetidin-1-yl]methanone

C15H21N3O — CID 130369595

IUPACcyclopropyl-[3-[(2-propan-2-yl-4-pyridinyl)amino]azetidin-1-yl]methanone
SMILESCC(C)c1cc(NC2CN(C(=O)C3CC3)C2)ccn1
InChIInChI=1S/C15H21N3O/c1-10(2)14-7-12(5-6-16-14)17-13-8-18(9-13)15(19)11-3-4-11/h5-7,10-11,13H,3-4,8-9H2,1-2H3,(H,16,17)
InChIKeyQAYRXHYTEHFZNL-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.24
Rot. Bonds4

About cyclopropyl-[3-[(2-propan-2-yl-4-pyridinyl)amino]azetidin-1-yl]methanone

cyclopropyl-[3-[(2-propan-2-yl-4-pyridinyl)amino]azetidin-1-yl]methanone (PubChem CID 130369595) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is cyclopropyl-[3-[(2-propan-2-yl-4-pyridinyl)amino]azetidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-[(2-propan-2-yl-4-pyridinyl)amino]azetidin-1-yl]methanone
PubChem CID130369595
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Namecyclopropyl-[3-[(2-propan-2-yl-4-pyridinyl)amino]azetidin-1-yl]methanone
SMILESCC(C)c1cc(NC2CN(C(=O)C3CC3)C2)ccn1
InChIInChI=1S/C15H21N3O/c1-10(2)14-7-12(5-6-16-14)17-13-8-18(9-13)15(19)11-3-4-11/h5-7,10-11,13H,3-4,8-9H2,1-2H3,(H,16,17)
InChIKeyQAYRXHYTEHFZNL-UHFFFAOYSA-N
XLogP2.24
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cyclopropyl-[3-[(2-propan-2-yl-4-pyridinyl)amino]azetidin-1-yl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-[(2-propan-2-yl-4-pyridinyl)amino]azetidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[3-[(2-propan-2-yl-4-pyridinyl)amino]azetidin-1-yl]methanone (CID 130369595) is cyclopropyl-[3-[(2-propan-2-yl-4-pyridinyl)amino]azetidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-[(2-propan-2-yl-4-pyridinyl)amino]azetidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[3-[(2-propan-2-yl-4-pyridinyl)amino]azetidin-1-yl]methanone is CC(C)c1cc(NC2CN(C(=O)C3CC3)C2)ccn1.
What is the InChIKey of cyclopropyl-[3-[(2-propan-2-yl-4-pyridinyl)amino]azetidin-1-yl]methanone?
The InChIKey is QAYRXHYTEHFZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10(2)14-7-12(5-6-16-14)17-13-8-18(9-13)15(19)11-3-4-11/h5-7,10-11,13H,3-4,8-9H2,1-2H3,(H,16,17).
What are the key properties of cyclopropyl-[3-[(2-propan-2-yl-4-pyridinyl)amino]azetidin-1-yl]methanone?
cyclopropyl-[3-[(2-propan-2-yl-4-pyridinyl)amino]azetidin-1-yl]methanone has a molecular weight of 259.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-[(2-propan-2-yl-4-pyridinyl)amino]azetidin-1-yl]methanone is sourced from PubChem (CID 130369595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).