(2R,4R)-N-(2-ethoxyphenyl)-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidine-1-carboxamide

C23H28N4O5 — CID 110198696

IUPAC(2R,4R)-N-(2-ethoxyphenyl)-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1C[C@H](Oc2cccnc2)C[C@@H]1C(=O)N1CCOCC1
InChIInChI=1S/C23H28N4O5/c1-2-31-21-8-4-3-7-19(21)25-23(29)27-16-18(32-17-6-5-9-24-15-17)14-20(27)22(28)26-10-12-30-13-11-26/h3-9,15,18,20H,2,10-14,16H2,1H3,(H,25,29)/t18-,20-/m1/s1
InChIKeyMLNOPXYTVOOXPJ-UYAOXDASSA-N
MW440.50 g/mol
LogP2.39
Rot. Bonds6

About (2R,4R)-N-(2-ethoxyphenyl)-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidine-1-carboxamide

(2R,4R)-N-(2-ethoxyphenyl)-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidine-1-carboxamide (PubChem CID 110198696) has the molecular formula C23H28N4O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is (2R,4R)-N-(2-ethoxyphenyl)-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R,4R)-N-(2-ethoxyphenyl)-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidine-1-carboxamide
PubChem CID110198696
Molecular FormulaC23H28N4O5
Molecular Weight440.50 g/mol
Exact Mass440.21
IUPAC Name(2R,4R)-N-(2-ethoxyphenyl)-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1C[C@H](Oc2cccnc2)C[C@@H]1C(=O)N1CCOCC1
InChIInChI=1S/C23H28N4O5/c1-2-31-21-8-4-3-7-19(21)25-23(29)27-16-18(32-17-6-5-9-24-15-17)14-20(27)22(28)26-10-12-30-13-11-26/h3-9,15,18,20H,2,10-14,16H2,1H3,(H,25,29)/t18-,20-/m1/s1
InChIKeyMLNOPXYTVOOXPJ-UYAOXDASSA-N
XLogP2.39
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-N-(2-ethoxyphenyl)-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidine-1-carboxamide?
The IUPAC name of (2R,4R)-N-(2-ethoxyphenyl)-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidine-1-carboxamide (CID 110198696) is (2R,4R)-N-(2-ethoxyphenyl)-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidine-1-carboxamide.
What is the SMILES notation for (2R,4R)-N-(2-ethoxyphenyl)-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidine-1-carboxamide?
The canonical SMILES for (2R,4R)-N-(2-ethoxyphenyl)-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidine-1-carboxamide is CCOc1ccccc1NC(=O)N1C[C@H](Oc2cccnc2)C[C@@H]1C(=O)N1CCOCC1.
What is the InChIKey of (2R,4R)-N-(2-ethoxyphenyl)-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidine-1-carboxamide?
The InChIKey is MLNOPXYTVOOXPJ-UYAOXDASSA-N. The full InChI is InChI=1S/C23H28N4O5/c1-2-31-21-8-4-3-7-19(21)25-23(29)27-16-18(32-17-6-5-9-24-15-17)14-20(27)22(28)26-10-12-30-13-11-26/h3-9,15,18,20H,2,10-14,16H2,1H3,(H,25,29)/t18-,20-/m1/s1.
What are the key properties of (2R,4R)-N-(2-ethoxyphenyl)-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidine-1-carboxamide?
(2R,4R)-N-(2-ethoxyphenyl)-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidine-1-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-N-(2-ethoxyphenyl)-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidine-1-carboxamide is sourced from PubChem (CID 110198696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).