(3R)-1-(4-ethoxyphenyl)-5-oxo-N-[3-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide

C25H25N3O4 — CID 38668542

IUPAC(3R)-1-(4-ethoxyphenyl)-5-oxo-N-[3-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide
SMILESCCOc1ccc(N2C[C@H](C(=O)Nc3cccc(OCc4ccccn4)c3)CC2=O)cc1
InChIInChI=1S/C25H25N3O4/c1-2-31-22-11-9-21(10-12-22)28-16-18(14-24(28)29)25(30)27-19-7-5-8-23(15-19)32-17-20-6-3-4-13-26-20/h3-13,15,18H,2,14,16-17H2,1H3,(H,27,30)/t18-/m1/s1
InChIKeySGOKKSGDUDKFJV-GOSISDBHSA-N
MW431.49 g/mol
LogP4.05
Rot. Bonds8

About (3R)-1-(4-ethoxyphenyl)-5-oxo-N-[3-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide

(3R)-1-(4-ethoxyphenyl)-5-oxo-N-[3-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide (PubChem CID 38668542) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is (3R)-1-(4-ethoxyphenyl)-5-oxo-N-[3-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-ethoxyphenyl)-5-oxo-N-[3-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide
PubChem CID38668542
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name(3R)-1-(4-ethoxyphenyl)-5-oxo-N-[3-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide
SMILESCCOc1ccc(N2C[C@H](C(=O)Nc3cccc(OCc4ccccn4)c3)CC2=O)cc1
InChIInChI=1S/C25H25N3O4/c1-2-31-22-11-9-21(10-12-22)28-16-18(14-24(28)29)25(30)27-19-7-5-8-23(15-19)32-17-20-6-3-4-13-26-20/h3-13,15,18H,2,14,16-17H2,1H3,(H,27,30)/t18-/m1/s1
InChIKeySGOKKSGDUDKFJV-GOSISDBHSA-N
XLogP4.05
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(4-ethoxyphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1072645
N-(3-ethoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 2968748
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-[3-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide
CID 46461031
(3R)-1-(4-ethoxyphenyl)-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide
CID 1088301
1-(4-ethoxyphenyl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 24628562
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 56530985
1-(4-ethoxyphenyl)-5-oxo-N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidine-3-carboxamide
CID 46601977
N-(4-ethoxyphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3693269
N-(4-acetamidophenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3342359
(3R)-N-(3,4-dimethylphenyl)-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 987488
(3S)-1-(4-ethoxyphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 988212
(3S)-N-(4-ethoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 7325492

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-ethoxyphenyl)-5-oxo-N-[3-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-ethoxyphenyl)-5-oxo-N-[3-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide (CID 38668542) is (3R)-1-(4-ethoxyphenyl)-5-oxo-N-[3-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-ethoxyphenyl)-5-oxo-N-[3-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-ethoxyphenyl)-5-oxo-N-[3-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide is CCOc1ccc(N2C[C@H](C(=O)Nc3cccc(OCc4ccccn4)c3)CC2=O)cc1.
What is the InChIKey of (3R)-1-(4-ethoxyphenyl)-5-oxo-N-[3-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is SGOKKSGDUDKFJV-GOSISDBHSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-2-31-22-11-9-21(10-12-22)28-16-18(14-24(28)29)25(30)27-19-7-5-8-23(15-19)32-17-20-6-3-4-13-26-20/h3-13,15,18H,2,14,16-17H2,1H3,(H,27,30)/t18-/m1/s1.
What are the key properties of (3R)-1-(4-ethoxyphenyl)-5-oxo-N-[3-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide?
(3R)-1-(4-ethoxyphenyl)-5-oxo-N-[3-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 431.49 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-ethoxyphenyl)-5-oxo-N-[3-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 38668542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).