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

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Related Compounds

N-piperidin-3-yl-2-propan-2-ylpyridin-4-amine
CID 83837395
cyclopropyl-[(3S)-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone
CID 95729043
[4-[(2-chloro-4-pyridinyl)amino]piperidin-1-yl]-cyclohexylmethanone
CID 133373916
cyclopropyl-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]methanone
CID 25455171
1-[4-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 45235641
4-(cyclopropylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109201983
cyclopentyl-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone
CID 24792136
6-tert-butyl-N-(3-morpholin-4-ylcyclobutyl)pyrimidin-4-amine;cyclopropyl-[3-[[2-(2-methylbutan-2-yl)-4-pyridinyl]amino]azetidin-1-yl]methanone;molecular hydrogen
CID 144656028
(3-anilinopyrrolidin-1-yl)-cyclopropylmethanone
CID 134813424
(3-methylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone
CID 167555398
cyclopropyl-[(3R)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone
CID 175863488
1-[(3R)-3-[(6-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone
CID 126724529

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).