(2S,3R)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide

C22H25N3O3 — CID 134711226

IUPAC(2S,3R)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
SMILESCCc1ccc(CN(C(=O)[C@H]2OCC(=O)N[C@@H]2c2cccnc2)C2CC2)cc1
InChIInChI=1S/C22H25N3O3/c1-2-15-5-7-16(8-6-15)13-25(18-9-10-18)22(27)21-20(24-19(26)14-28-21)17-4-3-11-23-12-17/h3-8,11-12,18,20-21H,2,9-10,13-14H2,1H3,(H,24,26)/t20-,21+/m1/s1
InChIKeyZFGSTORCLQCUCW-RTWAWAEBSA-N
MW379.46 g/mol
LogP2.39
Rot. Bonds6

About (2S,3R)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide

(2S,3R)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide (PubChem CID 134711226) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is (2S,3R)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
PubChem CID134711226
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name(2S,3R)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
SMILESCCc1ccc(CN(C(=O)[C@H]2OCC(=O)N[C@@H]2c2cccnc2)C2CC2)cc1
InChIInChI=1S/C22H25N3O3/c1-2-15-5-7-16(8-6-15)13-25(18-9-10-18)22(27)21-20(24-19(26)14-28-21)17-4-3-11-23-12-17/h3-8,11-12,18,20-21H,2,9-10,13-14H2,1H3,(H,24,26)/t20-,21+/m1/s1
InChIKeyZFGSTORCLQCUCW-RTWAWAEBSA-N
XLogP2.39
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide (CID 134711226) is (2S,3R)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide is CCc1ccc(CN(C(=O)[C@H]2OCC(=O)N[C@@H]2c2cccnc2)C2CC2)cc1.
What is the InChIKey of (2S,3R)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide?
The InChIKey is ZFGSTORCLQCUCW-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-2-15-5-7-16(8-6-15)13-25(18-9-10-18)22(27)21-20(24-19(26)14-28-21)17-4-3-11-23-12-17/h3-8,11-12,18,20-21H,2,9-10,13-14H2,1H3,(H,24,26)/t20-,21+/m1/s1.
What are the key properties of (2S,3R)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide?
(2S,3R)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide is sourced from PubChem (CID 134711226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).