1-methyl-5-oxo-N-pyridin-2-yl-2-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide

C20H23N3O5 — CID 52996250

IUPAC1-methyl-5-oxo-N-pyridin-2-yl-2-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(C2C(C(=O)Nc3ccccn3)CC(=O)N2C)c(OC)c1OC
InChIInChI=1S/C20H23N3O5/c1-23-16(24)11-13(20(25)22-15-7-5-6-10-21-15)17(23)12-8-9-14(26-2)19(28-4)18(12)27-3/h5-10,13,17H,11H2,1-4H3,(H,21,22,25)
InChIKeyZNEIHXQXLDMYDG-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.27
Rot. Bonds6

About 1-methyl-5-oxo-N-pyridin-2-yl-2-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide

1-methyl-5-oxo-N-pyridin-2-yl-2-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 52996250) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is 1-methyl-5-oxo-N-pyridin-2-yl-2-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-5-oxo-N-pyridin-2-yl-2-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID52996250
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Name1-methyl-5-oxo-N-pyridin-2-yl-2-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(C2C(C(=O)Nc3ccccn3)CC(=O)N2C)c(OC)c1OC
InChIInChI=1S/C20H23N3O5/c1-23-16(24)11-13(20(25)22-15-7-5-6-10-21-15)17(23)12-8-9-14(26-2)19(28-4)18(12)27-3/h5-10,13,17H,11H2,1-4H3,(H,21,22,25)
InChIKeyZNEIHXQXLDMYDG-UHFFFAOYSA-N
XLogP2.27
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R)-1-methyl-5-oxo-2-phenyl-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 29131786
(2R,3R)-2-(1,3-benzodioxol-5-yl)-1-methyl-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 97263717
(2R,3S)-2-(2,3-dimethoxyphenyl)-N-(1H-indol-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 52898129
2,3,4-trimethoxy-N-pyridin-2-ylbenzamide
CID 17399517
(3R,4S)-3-(3,4-dimethoxyphenyl)-2-methyl-1-oxo-N-pyridin-2-yl-3,4-dihydroisoquinoline-4-carboxamide
CID 51971210
(2R,3R)-N-(2-methoxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29136953
2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-pyridin-2-ylacetamide
CID 102565073
(2R,3S)-2-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 51970481
(2S,3S)-1-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29136965
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-pyridin-2-ylacetamide
CID 71705829
(3S,4R)-2-methyl-1-oxo-3-phenyl-N-pyridin-2-yl-3,4-dihydroisoquinoline-4-carboxamide
CID 51718468
(2R,3R)-1-methyl-N-naphthalen-1-yl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29130811

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-oxo-N-pyridin-2-yl-2-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-methyl-5-oxo-N-pyridin-2-yl-2-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide (CID 52996250) is 1-methyl-5-oxo-N-pyridin-2-yl-2-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-methyl-5-oxo-N-pyridin-2-yl-2-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-methyl-5-oxo-N-pyridin-2-yl-2-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide is COc1ccc(C2C(C(=O)Nc3ccccn3)CC(=O)N2C)c(OC)c1OC.
What is the InChIKey of 1-methyl-5-oxo-N-pyridin-2-yl-2-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is ZNEIHXQXLDMYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-23-16(24)11-13(20(25)22-15-7-5-6-10-21-15)17(23)12-8-9-14(26-2)19(28-4)18(12)27-3/h5-10,13,17H,11H2,1-4H3,(H,21,22,25).
What are the key properties of 1-methyl-5-oxo-N-pyridin-2-yl-2-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide?
1-methyl-5-oxo-N-pyridin-2-yl-2-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-oxo-N-pyridin-2-yl-2-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 52996250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).