(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).