3-[(2R)-2-ethylmorpholine-4-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one

C20H24N2O3 — CID 95584378

IUPAC3-[(2R)-2-ethylmorpholine-4-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one
SMILESCC[C@@H]1CN(C(=O)c2cccn(Cc3cccc(C)c3)c2=O)CCO1
InChIInChI=1S/C20H24N2O3/c1-3-17-14-22(10-11-25-17)20(24)18-8-5-9-21(19(18)23)13-16-7-4-6-15(2)12-16/h4-9,12,17H,3,10-11,13-14H2,1-2H3/t17-/m1/s1
InChIKeyWTWSMPWLGNDEHB-QGZVFWFLSA-N
MW340.42 g/mol
LogP2.46
Rot. Bonds4

About 3-[(2R)-2-ethylmorpholine-4-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one

3-[(2R)-2-ethylmorpholine-4-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one (PubChem CID 95584378) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-[(2R)-2-ethylmorpholine-4-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-[(2R)-2-ethylmorpholine-4-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one
PubChem CID95584378
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-[(2R)-2-ethylmorpholine-4-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one
SMILESCC[C@@H]1CN(C(=O)c2cccn(Cc3cccc(C)c3)c2=O)CCO1
InChIInChI=1S/C20H24N2O3/c1-3-17-14-22(10-11-25-17)20(24)18-8-5-9-21(19(18)23)13-16-7-4-6-15(2)12-16/h4-9,12,17H,3,10-11,13-14H2,1-2H3/t17-/m1/s1
InChIKeyWTWSMPWLGNDEHB-QGZVFWFLSA-N
XLogP2.46
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-2-carboxylic acid
CID 126786953
3-[(3S)-3-ethylpiperidine-1-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one
CID 52539460
(3R)-4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-3-carboxylic acid
CID 125151027
potassium 5-hydroxy-1-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]piperidine-3-carboxylate
CID 167838857
3-methyl-1-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119256185
(2-ethylmorpholin-4-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone
CID 43070553
[2-(ethylamino)-5-methylphenyl]-(2-ethylmorpholin-4-yl)methanone
CID 62510031
(2-ethylmorpholin-4-yl)-(1H-indol-4-yl)methanone
CID 43582924
6-(2-ethylmorpholine-4-carbonyl)-1H-pyridin-2-one
CID 107261637
methyl 2-[4-[(3-methylphenyl)methyl]morpholin-2-yl]acetate
CID 79822269
N-methyl-1-[(3-methylphenyl)methyl]-2-oxo-N-phenylpyridine-3-carboxamide
CID 7598420
3-(2-ethylmorpholine-4-carbonyl)benzoic acid
CID 43563067

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-ethylmorpholine-4-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one?
The IUPAC name of 3-[(2R)-2-ethylmorpholine-4-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one (CID 95584378) is 3-[(2R)-2-ethylmorpholine-4-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one.
What is the SMILES notation for 3-[(2R)-2-ethylmorpholine-4-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one?
The canonical SMILES for 3-[(2R)-2-ethylmorpholine-4-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one is CC[C@@H]1CN(C(=O)c2cccn(Cc3cccc(C)c3)c2=O)CCO1.
What is the InChIKey of 3-[(2R)-2-ethylmorpholine-4-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one?
The InChIKey is WTWSMPWLGNDEHB-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-17-14-22(10-11-25-17)20(24)18-8-5-9-21(19(18)23)13-16-7-4-6-15(2)12-16/h4-9,12,17H,3,10-11,13-14H2,1-2H3/t17-/m1/s1.
What are the key properties of 3-[(2R)-2-ethylmorpholine-4-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one?
3-[(2R)-2-ethylmorpholine-4-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one has a molecular weight of 340.42 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-ethylmorpholine-4-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one is sourced from PubChem (CID 95584378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).