2-methyl-5-[(2R)-2-(2-methylphenyl)morpholine-4-carbonyl]-1H-pyridin-4-one

C18H20N2O3 — CID 97072792

IUPAC2-methyl-5-[(2R)-2-(2-methylphenyl)morpholine-4-carbonyl]-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCO[C@H](c3ccccc3C)C2)c[nH]1
InChIInChI=1S/C18H20N2O3/c1-12-5-3-4-6-14(12)17-11-20(7-8-23-17)18(22)15-10-19-13(2)9-16(15)21/h3-6,9-10,17H,7-8,11H2,1-2H3,(H,19,21)/t17-/m0/s1
InChIKeyYKBCURIZWYRCKK-KRWDZBQOSA-N
MW312.37 g/mol
LogP2.21
Rot. Bonds2

About 2-methyl-5-[(2R)-2-(2-methylphenyl)morpholine-4-carbonyl]-1H-pyridin-4-one

2-methyl-5-[(2R)-2-(2-methylphenyl)morpholine-4-carbonyl]-1H-pyridin-4-one (PubChem CID 97072792) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-methyl-5-[(2R)-2-(2-methylphenyl)morpholine-4-carbonyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-methyl-5-[(2R)-2-(2-methylphenyl)morpholine-4-carbonyl]-1H-pyridin-4-one
PubChem CID97072792
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2-methyl-5-[(2R)-2-(2-methylphenyl)morpholine-4-carbonyl]-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCO[C@H](c3ccccc3C)C2)c[nH]1
InChIInChI=1S/C18H20N2O3/c1-12-5-3-4-6-14(12)17-11-20(7-8-23-17)18(22)15-10-19-13(2)9-16(15)21/h3-6,9-10,17H,7-8,11H2,1-2H3,(H,19,21)/t17-/m0/s1
InChIKeyYKBCURIZWYRCKK-KRWDZBQOSA-N
XLogP2.21
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2R)-2-(3-fluorophenyl)morpholine-4-carbonyl]-2-methyl-1H-pyridin-4-one
CID 97067462
5-[2-(3-fluorophenyl)morpholine-4-carbonyl]-2-methyl-1H-pyridin-4-one
CID 71926655
ethyl 2-(2-methylphenyl)morpholine-4-carboxylate
CID 71684137
3-methyl-5-[2-[2-(trifluoromethyl)phenyl]morpholine-4-carbonyl]-1H-pyridin-4-one
CID 136522206
5-(1,3-dihydroisoindole-2-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103717991
[2-(2-methylphenyl)morpholin-4-yl]-(oxolan-2-yl)methanone
CID 110364459
(2-chlorophenyl)-[2-(2-chlorophenyl)morpholin-4-yl]methanone
CID 110326868
5-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103696163
3-amino-3-methyl-1-[2-(2-methylphenyl)morpholin-4-yl]butan-1-one
CID 126789841
2-methyl-5-[(5S)-5-methyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]-1H-pyridin-4-one
CID 164641505
N-(4-chlorophenyl)-2-(2-methylphenyl)morpholine-4-carboxamide
CID 110364497
2-(2-methoxyphenoxy)-1-[2-(2-methylphenyl)morpholin-4-yl]ethanone
CID 110364507

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2R)-2-(2-methylphenyl)morpholine-4-carbonyl]-1H-pyridin-4-one?
The IUPAC name of 2-methyl-5-[(2R)-2-(2-methylphenyl)morpholine-4-carbonyl]-1H-pyridin-4-one (CID 97072792) is 2-methyl-5-[(2R)-2-(2-methylphenyl)morpholine-4-carbonyl]-1H-pyridin-4-one.
What is the SMILES notation for 2-methyl-5-[(2R)-2-(2-methylphenyl)morpholine-4-carbonyl]-1H-pyridin-4-one?
The canonical SMILES for 2-methyl-5-[(2R)-2-(2-methylphenyl)morpholine-4-carbonyl]-1H-pyridin-4-one is Cc1cc(=O)c(C(=O)N2CCO[C@H](c3ccccc3C)C2)c[nH]1.
What is the InChIKey of 2-methyl-5-[(2R)-2-(2-methylphenyl)morpholine-4-carbonyl]-1H-pyridin-4-one?
The InChIKey is YKBCURIZWYRCKK-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-5-3-4-6-14(12)17-11-20(7-8-23-17)18(22)15-10-19-13(2)9-16(15)21/h3-6,9-10,17H,7-8,11H2,1-2H3,(H,19,21)/t17-/m0/s1.
What are the key properties of 2-methyl-5-[(2R)-2-(2-methylphenyl)morpholine-4-carbonyl]-1H-pyridin-4-one?
2-methyl-5-[(2R)-2-(2-methylphenyl)morpholine-4-carbonyl]-1H-pyridin-4-one has a molecular weight of 312.37 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2R)-2-(2-methylphenyl)morpholine-4-carbonyl]-1H-pyridin-4-one is sourced from PubChem (CID 97072792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).