azetidin-1-yl-(6-tert-butyl-3-pyridinyl)methanone

C13H18N2O — CID 59743869

IUPACazetidin-1-yl-(6-tert-butyl-3-pyridinyl)methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCC2)cn1
InChIInChI=1S/C13H18N2O/c1-13(2,3)11-6-5-10(9-14-11)12(16)15-7-4-8-15/h5-6,9H,4,7-8H2,1-3H3
InChIKeyKKKPPGMNZCWDAV-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.22
Rot. Bonds1

About azetidin-1-yl-(6-tert-butyl-3-pyridinyl)methanone

azetidin-1-yl-(6-tert-butyl-3-pyridinyl)methanone (PubChem CID 59743869) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is azetidin-1-yl-(6-tert-butyl-3-pyridinyl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(6-tert-butyl-3-pyridinyl)methanone
PubChem CID59743869
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Nameazetidin-1-yl-(6-tert-butyl-3-pyridinyl)methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCC2)cn1
InChIInChI=1S/C13H18N2O/c1-13(2,3)11-6-5-10(9-14-11)12(16)15-7-4-8-15/h5-6,9H,4,7-8H2,1-3H3
InChIKeyKKKPPGMNZCWDAV-UHFFFAOYSA-N
XLogP2.22
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze azetidin-1-yl-(6-tert-butyl-3-pyridinyl)methanone 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

(6-tert-butyl-3-pyridinyl) azetidine-1-carboxylate
CID 175498808
azepan-1-yl-(2-tert-butyl-4-pyridinyl)methanone
CID 4731353
[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 3487323
phenyl-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]methanone
CID 33497333
[6-(dimethylamino)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78859312
6-tert-butylpyridine-3-carboxamide;ethane
CID 144695705
[3-(methylamino)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119491784
(6-methylsulfanyl-3-pyridinyl)-piperidin-1-ylmethanone
CID 142545270
(4-hydroxypiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 43424156
[4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 134410676
[6-(propylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 60722911
(2-methylpyrimidin-5-yl)-pyrrolidin-1-ylmethanone
CID 89084134

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(6-tert-butyl-3-pyridinyl)methanone?
The IUPAC name of azetidin-1-yl-(6-tert-butyl-3-pyridinyl)methanone (CID 59743869) is azetidin-1-yl-(6-tert-butyl-3-pyridinyl)methanone.
What is the SMILES notation for azetidin-1-yl-(6-tert-butyl-3-pyridinyl)methanone?
The canonical SMILES for azetidin-1-yl-(6-tert-butyl-3-pyridinyl)methanone is CC(C)(C)c1ccc(C(=O)N2CCC2)cn1.
What is the InChIKey of azetidin-1-yl-(6-tert-butyl-3-pyridinyl)methanone?
The InChIKey is KKKPPGMNZCWDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-13(2,3)11-6-5-10(9-14-11)12(16)15-7-4-8-15/h5-6,9H,4,7-8H2,1-3H3.
What are the key properties of azetidin-1-yl-(6-tert-butyl-3-pyridinyl)methanone?
azetidin-1-yl-(6-tert-butyl-3-pyridinyl)methanone has a molecular weight of 218.30 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(6-tert-butyl-3-pyridinyl)methanone is sourced from PubChem (CID 59743869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).