(2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

C21H25N3O4 — CID 110087625

IUPAC(2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCN1C(=O)C[C@@H](C(=O)NCc2cccnc2)[C@@H]1c1ccc(OC)c(OC)c1
InChIInChI=1S/C21H25N3O4/c1-4-24-19(25)11-16(21(26)23-13-14-6-5-9-22-12-14)20(24)15-7-8-17(27-2)18(10-15)28-3/h5-10,12,16,20H,4,11,13H2,1-3H3,(H,23,26)/t16-,20+/m1/s1
InChIKeyXQFSMLVOHMOLNR-UZLBHIALSA-N
MW383.45 g/mol
LogP2.32
Rot. Bonds7

About (2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

(2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 110087625) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is (2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID110087625
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name(2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCN1C(=O)C[C@@H](C(=O)NCc2cccnc2)[C@@H]1c1ccc(OC)c(OC)c1
InChIInChI=1S/C21H25N3O4/c1-4-24-19(25)11-16(21(26)23-13-14-6-5-9-22-12-14)20(24)15-7-8-17(27-2)18(10-15)28-3/h5-10,12,16,20H,4,11,13H2,1-3H3,(H,23,26)/t16-,20+/m1/s1
InChIKeyXQFSMLVOHMOLNR-UZLBHIALSA-N
XLogP2.32
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R)-N-benzyl-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 110087637
2-N-[(3,4-dimethoxyphenyl)methyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137034
(2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid
CID 16765282
(3R,4S)-3-(3,4-dimethoxyphenyl)-2-methyl-1-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide
CID 93382505
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 46110110
(2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-N-(2-hydroxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 110087703
1-(3,4-dimethoxybenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 46412193
N-[(3,4-dimethoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947614
1-[2-(2-methoxyphenoxy)ethyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 75490757
(2R,3R)-1-ethyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 110087461
(3R)-1-(3,4-dimethoxyphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 7420377
3-(3,4-dimethoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide
CID 112993071

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (CID 110087625) is (2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is CCN1C(=O)C[C@@H](C(=O)NCc2cccnc2)[C@@H]1c1ccc(OC)c(OC)c1.
What is the InChIKey of (2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is XQFSMLVOHMOLNR-UZLBHIALSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-4-24-19(25)11-16(21(26)23-13-14-6-5-9-22-12-14)20(24)15-7-8-17(27-2)18(10-15)28-3/h5-10,12,16,20H,4,11,13H2,1-3H3,(H,23,26)/t16-,20+/m1/s1.
What are the key properties of (2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
(2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 110087625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).