(2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-N-(2-pyrazin-2-ylethyl)morpholine-2-carboxamide

C21H24N4O4 — CID 157018851

IUPAC(2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-N-(2-pyrazin-2-ylethyl)morpholine-2-carboxamide
SMILESCOc1ccc([C@@H]2[C@@H](C(=O)NCCc3cnccn3)OCC(=O)N2C2CC2)cc1
InChIInChI=1S/C21H24N4O4/c1-28-17-6-2-14(3-7-17)19-20(29-13-18(26)25(19)16-4-5-16)21(27)24-9-8-15-12-22-10-11-23-15/h2-3,6-7,10-12,16,19-20H,4-5,8-9,13H2,1H3,(H,24,27)/t19-,20+/m1/s1
InChIKeyUWOLJUVGLWCUQG-UXHICEINSA-N
MW396.45 g/mol
LogP1.27
Rot. Bonds7

About (2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-N-(2-pyrazin-2-ylethyl)morpholine-2-carboxamide

(2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-N-(2-pyrazin-2-ylethyl)morpholine-2-carboxamide (PubChem CID 157018851) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is (2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-N-(2-pyrazin-2-ylethyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-N-(2-pyrazin-2-ylethyl)morpholine-2-carboxamide
PubChem CID157018851
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name(2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-N-(2-pyrazin-2-ylethyl)morpholine-2-carboxamide
SMILESCOc1ccc([C@@H]2[C@@H](C(=O)NCCc3cnccn3)OCC(=O)N2C2CC2)cc1
InChIInChI=1S/C21H24N4O4/c1-28-17-6-2-14(3-7-17)19-20(29-13-18(26)25(19)16-4-5-16)21(27)24-9-8-15-12-22-10-11-23-15/h2-3,6-7,10-12,16,19-20H,4-5,8-9,13H2,1H3,(H,24,27)/t19-,20+/m1/s1
InChIKeyUWOLJUVGLWCUQG-UXHICEINSA-N
XLogP1.27
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-N-(2-pyrazin-2-ylethyl)morpholine-2-carboxamide?
The IUPAC name of (2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-N-(2-pyrazin-2-ylethyl)morpholine-2-carboxamide (CID 157018851) is (2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-N-(2-pyrazin-2-ylethyl)morpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-N-(2-pyrazin-2-ylethyl)morpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-N-(2-pyrazin-2-ylethyl)morpholine-2-carboxamide is COc1ccc([C@@H]2[C@@H](C(=O)NCCc3cnccn3)OCC(=O)N2C2CC2)cc1.
What is the InChIKey of (2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-N-(2-pyrazin-2-ylethyl)morpholine-2-carboxamide?
The InChIKey is UWOLJUVGLWCUQG-UXHICEINSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-28-17-6-2-14(3-7-17)19-20(29-13-18(26)25(19)16-4-5-16)21(27)24-9-8-15-12-22-10-11-23-15/h2-3,6-7,10-12,16,19-20H,4-5,8-9,13H2,1H3,(H,24,27)/t19-,20+/m1/s1.
What are the key properties of (2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-N-(2-pyrazin-2-ylethyl)morpholine-2-carboxamide?
(2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-N-(2-pyrazin-2-ylethyl)morpholine-2-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-N-(2-pyrazin-2-ylethyl)morpholine-2-carboxamide is sourced from PubChem (CID 157018851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).