(2S,3S)-4-methyl-N-(4-methylpyrimidin-2-yl)-5-oxo-3-phenylmorpholine-2-carboxamide

C17H18N4O3 — CID 124882471

IUPAC(2S,3S)-4-methyl-N-(4-methylpyrimidin-2-yl)-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCc1ccnc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2)n1
InChIInChI=1S/C17H18N4O3/c1-11-8-9-18-17(19-11)20-16(23)15-14(12-6-4-3-5-7-12)21(2)13(22)10-24-15/h3-9,14-15H,10H2,1-2H3,(H,18,19,20,23)/t14-,15-/m0/s1
InChIKeyQEZJCIKMZBCLCX-GJZGRUSLSA-N
MW326.36 g/mol
LogP1.32
Rot. Bonds3

About (2S,3S)-4-methyl-N-(4-methylpyrimidin-2-yl)-5-oxo-3-phenylmorpholine-2-carboxamide

(2S,3S)-4-methyl-N-(4-methylpyrimidin-2-yl)-5-oxo-3-phenylmorpholine-2-carboxamide (PubChem CID 124882471) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is (2S,3S)-4-methyl-N-(4-methylpyrimidin-2-yl)-5-oxo-3-phenylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3S)-4-methyl-N-(4-methylpyrimidin-2-yl)-5-oxo-3-phenylmorpholine-2-carboxamide
PubChem CID124882471
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name(2S,3S)-4-methyl-N-(4-methylpyrimidin-2-yl)-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCc1ccnc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2)n1
InChIInChI=1S/C17H18N4O3/c1-11-8-9-18-17(19-11)20-16(23)15-14(12-6-4-3-5-7-12)21(2)13(22)10-24-15/h3-9,14-15H,10H2,1-2H3,(H,18,19,20,23)/t14-,15-/m0/s1
InChIKeyQEZJCIKMZBCLCX-GJZGRUSLSA-N
XLogP1.32
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R)-N-(2-ethyl-5-methylpyrazol-3-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 95737990
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 56730597
(2S,3R)-N-cyclopentyl-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 95738078
4-methyl-5-oxo-3-phenyl-N-(1-phenylethyl)morpholine-2-carboxamide
CID 71687662
(2S,3S)-3-(4-fluorophenyl)-4-methyl-N-(6-methyl-2-pyridinyl)-5-oxomorpholine-2-carboxamide
CID 97457559
4-methyl-5-oxo-3-phenyl-N-(pyridin-4-ylmethyl)morpholine-2-carboxamide
CID 71687674
(2R,3S)-N-(3-fluorophenyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 95738065
4-methyl-3-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide
CID 75538201
(2S,3S)-N-(1-ethylpyrazol-4-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 95738008
N-(2,5-dimethylpyrazol-3-yl)-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 71689485
(2S,3R)-N-[(2S)-butan-2-yl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 98768943
N-(3-carbamoyl-4-fluorophenyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 139011170

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-4-methyl-N-(4-methylpyrimidin-2-yl)-5-oxo-3-phenylmorpholine-2-carboxamide?
The IUPAC name of (2S,3S)-4-methyl-N-(4-methylpyrimidin-2-yl)-5-oxo-3-phenylmorpholine-2-carboxamide (CID 124882471) is (2S,3S)-4-methyl-N-(4-methylpyrimidin-2-yl)-5-oxo-3-phenylmorpholine-2-carboxamide.
What is the SMILES notation for (2S,3S)-4-methyl-N-(4-methylpyrimidin-2-yl)-5-oxo-3-phenylmorpholine-2-carboxamide?
The canonical SMILES for (2S,3S)-4-methyl-N-(4-methylpyrimidin-2-yl)-5-oxo-3-phenylmorpholine-2-carboxamide is Cc1ccnc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2)n1.
What is the InChIKey of (2S,3S)-4-methyl-N-(4-methylpyrimidin-2-yl)-5-oxo-3-phenylmorpholine-2-carboxamide?
The InChIKey is QEZJCIKMZBCLCX-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-11-8-9-18-17(19-11)20-16(23)15-14(12-6-4-3-5-7-12)21(2)13(22)10-24-15/h3-9,14-15H,10H2,1-2H3,(H,18,19,20,23)/t14-,15-/m0/s1.
What are the key properties of (2S,3S)-4-methyl-N-(4-methylpyrimidin-2-yl)-5-oxo-3-phenylmorpholine-2-carboxamide?
(2S,3S)-4-methyl-N-(4-methylpyrimidin-2-yl)-5-oxo-3-phenylmorpholine-2-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-4-methyl-N-(4-methylpyrimidin-2-yl)-5-oxo-3-phenylmorpholine-2-carboxamide is sourced from PubChem (CID 124882471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).