(2R,3S)-4-(cyclohexylmethyl)-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-5-oxomorpholine-3-carboxamide

C19H27N3O4 — CID 166024048

IUPAC(2R,3S)-4-(cyclohexylmethyl)-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-5-oxomorpholine-3-carboxamide
SMILESC[C@H]1OCC(=O)N(CC2CCCCC2)[C@@H]1C(=O)Nc1ccc(=O)n(C)c1
InChIInChI=1S/C19H27N3O4/c1-13-18(19(25)20-15-8-9-16(23)21(2)11-15)22(17(24)12-26-13)10-14-6-4-3-5-7-14/h8-9,11,13-14,18H,3-7,10,12H2,1-2H3,(H,20,25)/t13-,18+/m1/s1
InChIKeyWVEOMVHZQITVJT-ACJLOTCBSA-N
MW361.44 g/mol
LogP1.52
Rot. Bonds4

About (2R,3S)-4-(cyclohexylmethyl)-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-5-oxomorpholine-3-carboxamide

(2R,3S)-4-(cyclohexylmethyl)-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-5-oxomorpholine-3-carboxamide (PubChem CID 166024048) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is (2R,3S)-4-(cyclohexylmethyl)-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-5-oxomorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-4-(cyclohexylmethyl)-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-5-oxomorpholine-3-carboxamide
PubChem CID166024048
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name(2R,3S)-4-(cyclohexylmethyl)-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-5-oxomorpholine-3-carboxamide
SMILESC[C@H]1OCC(=O)N(CC2CCCCC2)[C@@H]1C(=O)Nc1ccc(=O)n(C)c1
InChIInChI=1S/C19H27N3O4/c1-13-18(19(25)20-15-8-9-16(23)21(2)11-15)22(17(24)12-26-13)10-14-6-4-3-5-7-14/h8-9,11,13-14,18H,3-7,10,12H2,1-2H3,(H,20,25)/t13-,18+/m1/s1
InChIKeyWVEOMVHZQITVJT-ACJLOTCBSA-N
XLogP1.52
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,3S)-4-(cyclohexylmethyl)-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-5-oxomorpholine-3-carboxamide with MolForge

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Related Compounds

2-cyclopentyl-N-(1-methyl-6-oxo-3-pyridinyl)acetamide
CID 47341844
N-(1-methyl-6-oxo-3-pyridinyl)cyclobutanecarboxamide
CID 47341780
(2S)-N-(1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide
CID 61178864
1-cyclohexyl-3-(1-methyl-6-oxo-3-pyridinyl)urea
CID 110748319
(2R,3R)-2-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)oxane-3-carboxamide
CID 129479241
N-[4-[(R)-[(3R)-4-(cyclohexylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide
CID 56774633
5-(cyclohexylamino)-1-methylpyridin-2-one
CID 50988993
(2R,3S)-4-benzyl-N-(2-ethylpyrimidin-5-yl)-2-methyl-5-oxomorpholine-3-carboxamide
CID 128985776
4-amino-N-(1-methyl-6-oxo-3-pyridinyl)oxolane-3-carboxamide
CID 66239661
trans-(1S,2S)-2-(4-bromophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)cyclopropane-1-carboxamide
CID 94812943
cis-(1R,2S)-2-(3-bromophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)cyclopropane-1-carboxamide
CID 94810696
1-methyl-5-[(3-methylcyclobutyl)amino]pyridin-2-one
CID 103561708

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4-(cyclohexylmethyl)-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-5-oxomorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-4-(cyclohexylmethyl)-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-5-oxomorpholine-3-carboxamide (CID 166024048) is (2R,3S)-4-(cyclohexylmethyl)-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-5-oxomorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-4-(cyclohexylmethyl)-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-5-oxomorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-4-(cyclohexylmethyl)-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-5-oxomorpholine-3-carboxamide is C[C@H]1OCC(=O)N(CC2CCCCC2)[C@@H]1C(=O)Nc1ccc(=O)n(C)c1.
What is the InChIKey of (2R,3S)-4-(cyclohexylmethyl)-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-5-oxomorpholine-3-carboxamide?
The InChIKey is WVEOMVHZQITVJT-ACJLOTCBSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-13-18(19(25)20-15-8-9-16(23)21(2)11-15)22(17(24)12-26-13)10-14-6-4-3-5-7-14/h8-9,11,13-14,18H,3-7,10,12H2,1-2H3,(H,20,25)/t13-,18+/m1/s1.
What are the key properties of (2R,3S)-4-(cyclohexylmethyl)-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-5-oxomorpholine-3-carboxamide?
(2R,3S)-4-(cyclohexylmethyl)-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-5-oxomorpholine-3-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4-(cyclohexylmethyl)-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-5-oxomorpholine-3-carboxamide is sourced from PubChem (CID 166024048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).