(2S,3R)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-(pyridin-4-ylmethyl)morpholine-2-carboxamide

C18H18ClN3O3 — CID 95739648

IUPAC(2S,3R)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-(pyridin-4-ylmethyl)morpholine-2-carboxamide
SMILESCN1C(=O)CO[C@H](C(=O)NCc2ccncc2)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN3O3/c1-22-15(23)11-25-17(16(22)13-2-4-14(19)5-3-13)18(24)21-10-12-6-8-20-9-7-12/h2-9,16-17H,10-11H2,1H3,(H,21,24)/t16-,17+/m1/s1
InChIKeyGFLNBZKLIGUOBE-SJORKVTESA-N
MW359.81 g/mol
LogP1.95
Rot. Bonds4

About (2S,3R)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-(pyridin-4-ylmethyl)morpholine-2-carboxamide

(2S,3R)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-(pyridin-4-ylmethyl)morpholine-2-carboxamide (PubChem CID 95739648) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is (2S,3R)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-(pyridin-4-ylmethyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-(pyridin-4-ylmethyl)morpholine-2-carboxamide
PubChem CID95739648
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC Name(2S,3R)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-(pyridin-4-ylmethyl)morpholine-2-carboxamide
SMILESCN1C(=O)CO[C@H](C(=O)NCc2ccncc2)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN3O3/c1-22-15(23)11-25-17(16(22)13-2-4-14(19)5-3-13)18(24)21-10-12-6-8-20-9-7-12/h2-9,16-17H,10-11H2,1H3,(H,21,24)/t16-,17+/m1/s1
InChIKeyGFLNBZKLIGUOBE-SJORKVTESA-N
XLogP1.95
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-5-oxo-3-phenyl-N-(pyridin-4-ylmethyl)morpholine-2-carboxamide
CID 71687674
(2R,3R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739590
(2R,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-prop-2-enylmorpholine-2-carboxamide
CID 95739719
(2S,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide
CID 95739578
(2R,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide
CID 95739579
3-(4-chlorophenyl)-4-methyl-N-(1,2-oxazol-3-yl)-5-oxomorpholine-2-carboxamide
CID 71689388
3-(4-chlorophenyl)-N-(3-ethoxypropyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 71689376
(2S,3R)-3-(4-chlorophenyl)-N-cyclopentyl-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739604
(2S,3S)-3-(4-chlorophenyl)-N-cyclopentyl-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739605
(2R,3R)-3-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-4-methyl-5-oxomorpholine-2-carboxamide
CID 97457503
(2R,3R)-3-(4-chlorophenyl)-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-oxomorpholine-2-carboxamide
CID 95739673
(2R,3S)-3-(4-chlorophenyl)-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-oxomorpholine-2-carboxamide
CID 95739671

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-(pyridin-4-ylmethyl)morpholine-2-carboxamide?
The IUPAC name of (2S,3R)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-(pyridin-4-ylmethyl)morpholine-2-carboxamide (CID 95739648) is (2S,3R)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-(pyridin-4-ylmethyl)morpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-(pyridin-4-ylmethyl)morpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-(pyridin-4-ylmethyl)morpholine-2-carboxamide is CN1C(=O)CO[C@H](C(=O)NCc2ccncc2)[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (2S,3R)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-(pyridin-4-ylmethyl)morpholine-2-carboxamide?
The InChIKey is GFLNBZKLIGUOBE-SJORKVTESA-N. The full InChI is InChI=1S/C18H18ClN3O3/c1-22-15(23)11-25-17(16(22)13-2-4-14(19)5-3-13)18(24)21-10-12-6-8-20-9-7-12/h2-9,16-17H,10-11H2,1H3,(H,21,24)/t16-,17+/m1/s1.
What are the key properties of (2S,3R)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-(pyridin-4-ylmethyl)morpholine-2-carboxamide?
(2S,3R)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-(pyridin-4-ylmethyl)morpholine-2-carboxamide has a molecular weight of 359.81 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-(pyridin-4-ylmethyl)morpholine-2-carboxamide is sourced from PubChem (CID 95739648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).