(2S)-2-(dimethylamino)-2-(3-methylphenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone

C19H23N3O — CID 95719715

IUPAC(2S)-2-(dimethylamino)-2-(3-methylphenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone
SMILESCc1cccc([C@@H](C(=O)N2CC(c3ccccn3)C2)N(C)C)c1
InChIInChI=1S/C19H23N3O/c1-14-7-6-8-15(11-14)18(21(2)3)19(23)22-12-16(13-22)17-9-4-5-10-20-17/h4-11,16,18H,12-13H2,1-3H3/t18-/m0/s1
InChIKeyXJTODMMMBWDIOH-SFHVURJKSA-N
MW309.41 g/mol
LogP2.62
Rot. Bonds4

About (2S)-2-(dimethylamino)-2-(3-methylphenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone

(2S)-2-(dimethylamino)-2-(3-methylphenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone (PubChem CID 95719715) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-2-(3-methylphenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-2-(3-methylphenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone
PubChem CID95719715
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name(2S)-2-(dimethylamino)-2-(3-methylphenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone
SMILESCc1cccc([C@@H](C(=O)N2CC(c3ccccn3)C2)N(C)C)c1
InChIInChI=1S/C19H23N3O/c1-14-7-6-8-15(11-14)18(21(2)3)19(23)22-12-16(13-22)17-9-4-5-10-20-17/h4-11,16,18H,12-13H2,1-3H3/t18-/m0/s1
InChIKeyXJTODMMMBWDIOH-SFHVURJKSA-N
XLogP2.62
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-2-(3-methylphenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone?
The IUPAC name of (2S)-2-(dimethylamino)-2-(3-methylphenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone (CID 95719715) is (2S)-2-(dimethylamino)-2-(3-methylphenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone.
What is the SMILES notation for (2S)-2-(dimethylamino)-2-(3-methylphenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone?
The canonical SMILES for (2S)-2-(dimethylamino)-2-(3-methylphenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone is Cc1cccc([C@@H](C(=O)N2CC(c3ccccn3)C2)N(C)C)c1.
What is the InChIKey of (2S)-2-(dimethylamino)-2-(3-methylphenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone?
The InChIKey is XJTODMMMBWDIOH-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23N3O/c1-14-7-6-8-15(11-14)18(21(2)3)19(23)22-12-16(13-22)17-9-4-5-10-20-17/h4-11,16,18H,12-13H2,1-3H3/t18-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-2-(3-methylphenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone?
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone has a molecular weight of 309.41 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-2-(3-methylphenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone is sourced from PubChem (CID 95719715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).