(2S,3R)-3-(2-chlorophenyl)-N-[2-(2-methoxy-3-pyridinyl)ethyl]-5-oxomorpholine-2-carboxamide

C19H20ClN3O4 — CID 157013949

IUPAC(2S,3R)-3-(2-chlorophenyl)-N-[2-(2-methoxy-3-pyridinyl)ethyl]-5-oxomorpholine-2-carboxamide
SMILESCOc1ncccc1CCNC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1Cl
InChIInChI=1S/C19H20ClN3O4/c1-26-19-12(5-4-9-22-19)8-10-21-18(25)17-16(23-15(24)11-27-17)13-6-2-3-7-14(13)20/h2-7,9,16-17H,8,10-11H2,1H3,(H,21,25)(H,23,24)/t16-,17+/m1/s1
InChIKeyUJGGMGPOPQNXKZ-SJORKVTESA-N
MW389.84 g/mol
LogP1.66
Rot. Bonds6

About (2S,3R)-3-(2-chlorophenyl)-N-[2-(2-methoxy-3-pyridinyl)ethyl]-5-oxomorpholine-2-carboxamide

(2S,3R)-3-(2-chlorophenyl)-N-[2-(2-methoxy-3-pyridinyl)ethyl]-5-oxomorpholine-2-carboxamide (PubChem CID 157013949) has the molecular formula C19H20ClN3O4 and a molecular weight of 389.84 g/mol. Its IUPAC name is (2S,3R)-3-(2-chlorophenyl)-N-[2-(2-methoxy-3-pyridinyl)ethyl]-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-3-(2-chlorophenyl)-N-[2-(2-methoxy-3-pyridinyl)ethyl]-5-oxomorpholine-2-carboxamide
PubChem CID157013949
Molecular FormulaC19H20ClN3O4
Molecular Weight389.84 g/mol
Exact Mass389.11
IUPAC Name(2S,3R)-3-(2-chlorophenyl)-N-[2-(2-methoxy-3-pyridinyl)ethyl]-5-oxomorpholine-2-carboxamide
SMILESCOc1ncccc1CCNC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1Cl
InChIInChI=1S/C19H20ClN3O4/c1-26-19-12(5-4-9-22-19)8-10-21-18(25)17-16(23-15(24)11-27-17)13-6-2-3-7-14(13)20/h2-7,9,16-17H,8,10-11H2,1H3,(H,21,25)(H,23,24)/t16-,17+/m1/s1
InChIKeyUJGGMGPOPQNXKZ-SJORKVTESA-N
XLogP1.66
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(2-chlorophenyl)-N-[2-(2-methoxy-3-pyridinyl)ethyl]-5-oxomorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-3-(2-chlorophenyl)-N-[2-(2-methoxy-3-pyridinyl)ethyl]-5-oxomorpholine-2-carboxamide (CID 157013949) is (2S,3R)-3-(2-chlorophenyl)-N-[2-(2-methoxy-3-pyridinyl)ethyl]-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-3-(2-chlorophenyl)-N-[2-(2-methoxy-3-pyridinyl)ethyl]-5-oxomorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-3-(2-chlorophenyl)-N-[2-(2-methoxy-3-pyridinyl)ethyl]-5-oxomorpholine-2-carboxamide is COc1ncccc1CCNC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1Cl.
What is the InChIKey of (2S,3R)-3-(2-chlorophenyl)-N-[2-(2-methoxy-3-pyridinyl)ethyl]-5-oxomorpholine-2-carboxamide?
The InChIKey is UJGGMGPOPQNXKZ-SJORKVTESA-N. The full InChI is InChI=1S/C19H20ClN3O4/c1-26-19-12(5-4-9-22-19)8-10-21-18(25)17-16(23-15(24)11-27-17)13-6-2-3-7-14(13)20/h2-7,9,16-17H,8,10-11H2,1H3,(H,21,25)(H,23,24)/t16-,17+/m1/s1.
What are the key properties of (2S,3R)-3-(2-chlorophenyl)-N-[2-(2-methoxy-3-pyridinyl)ethyl]-5-oxomorpholine-2-carboxamide?
(2S,3R)-3-(2-chlorophenyl)-N-[2-(2-methoxy-3-pyridinyl)ethyl]-5-oxomorpholine-2-carboxamide has a molecular weight of 389.84 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(2-chlorophenyl)-N-[2-(2-methoxy-3-pyridinyl)ethyl]-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 157013949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).