2-methyl-1-[3-[(4-methyl-2-pyridinyl)amino]azetidin-1-yl]propan-1-one

C13H19N3O — CID 90245415

IUPAC2-methyl-1-[3-[(4-methyl-2-pyridinyl)amino]azetidin-1-yl]propan-1-one
SMILESCc1ccnc(NC2CN(C(=O)C(C)C)C2)c1
InChIInChI=1S/C13H19N3O/c1-9(2)13(17)16-7-11(8-16)15-12-6-10(3)4-5-14-12/h4-6,9,11H,7-8H2,1-3H3,(H,14,15)
InChIKeyLIVWUHAVSMTMPH-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.67
Rot. Bonds3

About 2-methyl-1-[3-[(4-methyl-2-pyridinyl)amino]azetidin-1-yl]propan-1-one

2-methyl-1-[3-[(4-methyl-2-pyridinyl)amino]azetidin-1-yl]propan-1-one (PubChem CID 90245415) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-methyl-1-[3-[(4-methyl-2-pyridinyl)amino]azetidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[3-[(4-methyl-2-pyridinyl)amino]azetidin-1-yl]propan-1-one
PubChem CID90245415
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-methyl-1-[3-[(4-methyl-2-pyridinyl)amino]azetidin-1-yl]propan-1-one
SMILESCc1ccnc(NC2CN(C(=O)C(C)C)C2)c1
InChIInChI=1S/C13H19N3O/c1-9(2)13(17)16-7-11(8-16)15-12-6-10(3)4-5-14-12/h4-6,9,11H,7-8H2,1-3H3,(H,14,15)
InChIKeyLIVWUHAVSMTMPH-UHFFFAOYSA-N
XLogP1.67
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4,4-trifluoro-1-[3-[(4-methyl-2-pyridinyl)amino]azetidin-1-yl]but-2-en-1-one
CID 123654268
N-(azetidin-3-yl)-4-methylpyridin-2-amine;tert-butyl 3-[(4-methyl-2-pyridinyl)amino]azetidine-1-carboxylate
CID 157219072
N-cyclopropyl-4-methylpyridin-2-amine;ethane
CID 170575903
tert-butyl (3S)-3-[(4-methyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 26385053
4-[(4-methyl-2-pyridinyl)amino]cyclohexan-1-ol
CID 58548584
2-methyl-1-[(3R)-3-(pyrazin-2-ylamino)piperidin-1-yl]propan-1-one
CID 125437337
N-(3,3-dimethylcyclobutyl)-4-methylpyridin-2-amine
CID 131047920
4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine
CID 90245389
4-methyl-N-[(3R)-piperidin-3-yl]pyridin-2-amine;hydrochloride
CID 71638526
2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]pyridine-4-carboxylic acid
CID 118918262
1-cyclopropyl-3-(4-methyl-2-pyridinyl)urea
CID 108887621
1-[4-[(4-propan-2-yl-2-pyridinyl)amino]piperidin-1-yl]ethanone
CID 118929980

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-[(4-methyl-2-pyridinyl)amino]azetidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[3-[(4-methyl-2-pyridinyl)amino]azetidin-1-yl]propan-1-one (CID 90245415) is 2-methyl-1-[3-[(4-methyl-2-pyridinyl)amino]azetidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[3-[(4-methyl-2-pyridinyl)amino]azetidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[3-[(4-methyl-2-pyridinyl)amino]azetidin-1-yl]propan-1-one is Cc1ccnc(NC2CN(C(=O)C(C)C)C2)c1.
What is the InChIKey of 2-methyl-1-[3-[(4-methyl-2-pyridinyl)amino]azetidin-1-yl]propan-1-one?
The InChIKey is LIVWUHAVSMTMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9(2)13(17)16-7-11(8-16)15-12-6-10(3)4-5-14-12/h4-6,9,11H,7-8H2,1-3H3,(H,14,15).
What are the key properties of 2-methyl-1-[3-[(4-methyl-2-pyridinyl)amino]azetidin-1-yl]propan-1-one?
2-methyl-1-[3-[(4-methyl-2-pyridinyl)amino]azetidin-1-yl]propan-1-one has a molecular weight of 233.31 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-[(4-methyl-2-pyridinyl)amino]azetidin-1-yl]propan-1-one is sourced from PubChem (CID 90245415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).