(2S,3R)-4-cyclopropyl-N-(1-ethylcyclopentyl)-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide

C20H27N3O3 — CID 134709598

IUPAC(2S,3R)-4-cyclopropyl-N-(1-ethylcyclopentyl)-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
SMILESCCC1(NC(=O)[C@H]2OCC(=O)N(C3CC3)[C@@H]2c2cccnc2)CCCC1
InChIInChI=1S/C20H27N3O3/c1-2-20(9-3-4-10-20)22-19(25)18-17(14-6-5-11-21-12-14)23(15-7-8-15)16(24)13-26-18/h5-6,11-12,15,17-18H,2-4,7-10,13H2,1H3,(H,22,25)/t17-,18+/m1/s1
InChIKeyJNTWYOXLDOKZGU-MSOLQXFVSA-N
MW357.45 g/mol
LogP2.35
Rot. Bonds5

About (2S,3R)-4-cyclopropyl-N-(1-ethylcyclopentyl)-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide

(2S,3R)-4-cyclopropyl-N-(1-ethylcyclopentyl)-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide (PubChem CID 134709598) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is (2S,3R)-4-cyclopropyl-N-(1-ethylcyclopentyl)-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-4-cyclopropyl-N-(1-ethylcyclopentyl)-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
PubChem CID134709598
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name(2S,3R)-4-cyclopropyl-N-(1-ethylcyclopentyl)-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
SMILESCCC1(NC(=O)[C@H]2OCC(=O)N(C3CC3)[C@@H]2c2cccnc2)CCCC1
InChIInChI=1S/C20H27N3O3/c1-2-20(9-3-4-10-20)22-19(25)18-17(14-6-5-11-21-12-14)23(15-7-8-15)16(24)13-26-18/h5-6,11-12,15,17-18H,2-4,7-10,13H2,1H3,(H,22,25)/t17-,18+/m1/s1
InChIKeyJNTWYOXLDOKZGU-MSOLQXFVSA-N
XLogP2.35
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-4-cyclopropyl-N-(1-ethylcyclopentyl)-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-4-cyclopropyl-N-(1-ethylcyclopentyl)-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide (CID 134709598) is (2S,3R)-4-cyclopropyl-N-(1-ethylcyclopentyl)-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-4-cyclopropyl-N-(1-ethylcyclopentyl)-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-4-cyclopropyl-N-(1-ethylcyclopentyl)-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide is CCC1(NC(=O)[C@H]2OCC(=O)N(C3CC3)[C@@H]2c2cccnc2)CCCC1.
What is the InChIKey of (2S,3R)-4-cyclopropyl-N-(1-ethylcyclopentyl)-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide?
The InChIKey is JNTWYOXLDOKZGU-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-2-20(9-3-4-10-20)22-19(25)18-17(14-6-5-11-21-12-14)23(15-7-8-15)16(24)13-26-18/h5-6,11-12,15,17-18H,2-4,7-10,13H2,1H3,(H,22,25)/t17-,18+/m1/s1.
What are the key properties of (2S,3R)-4-cyclopropyl-N-(1-ethylcyclopentyl)-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide?
(2S,3R)-4-cyclopropyl-N-(1-ethylcyclopentyl)-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-4-cyclopropyl-N-(1-ethylcyclopentyl)-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide is sourced from PubChem (CID 134709598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).