(3R)-N-(2-ethoxyphenyl)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxamide

C19H23N3O3 — CID 129417822

IUPAC(3R)-N-(2-ethoxyphenyl)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CC[C@@H](Oc2ccc(C)cn2)C1
InChIInChI=1S/C19H23N3O3/c1-3-24-17-7-5-4-6-16(17)21-19(23)22-11-10-15(13-22)25-18-9-8-14(2)12-20-18/h4-9,12,15H,3,10-11,13H2,1-2H3,(H,21,23)/t15-/m1/s1
InChIKeySULTXEBDWVGVTP-OAHLLOKOSA-N
MW341.41 g/mol
LogP3.47
Rot. Bonds5

About (3R)-N-(2-ethoxyphenyl)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxamide

(3R)-N-(2-ethoxyphenyl)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxamide (PubChem CID 129417822) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (3R)-N-(2-ethoxyphenyl)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-ethoxyphenyl)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxamide
PubChem CID129417822
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(3R)-N-(2-ethoxyphenyl)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CC[C@@H](Oc2ccc(C)cn2)C1
InChIInChI=1S/C19H23N3O3/c1-3-24-17-7-5-4-6-16(17)21-19(23)22-11-10-15(13-22)25-18-9-8-14(2)12-20-18/h4-9,12,15H,3,10-11,13H2,1-2H3,(H,21,23)/t15-/m1/s1
InChIKeySULTXEBDWVGVTP-OAHLLOKOSA-N
XLogP3.47
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-ethoxyphenyl)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-(2-ethoxyphenyl)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxamide (CID 129417822) is (3R)-N-(2-ethoxyphenyl)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(2-ethoxyphenyl)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-(2-ethoxyphenyl)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxamide is CCOc1ccccc1NC(=O)N1CC[C@@H](Oc2ccc(C)cn2)C1.
What is the InChIKey of (3R)-N-(2-ethoxyphenyl)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxamide?
The InChIKey is SULTXEBDWVGVTP-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-3-24-17-7-5-4-6-16(17)21-19(23)22-11-10-15(13-22)25-18-9-8-14(2)12-20-18/h4-9,12,15H,3,10-11,13H2,1-2H3,(H,21,23)/t15-/m1/s1.
What are the key properties of (3R)-N-(2-ethoxyphenyl)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxamide?
(3R)-N-(2-ethoxyphenyl)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-ethoxyphenyl)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxamide is sourced from PubChem (CID 129417822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).