(3S)-N-(6-methyl-2-pyridinyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide

C20H23N3O3 — CID 7235791

IUPAC(3S)-N-(6-methyl-2-pyridinyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
SMILESCCCOc1ccc(N2C[C@@H](C(=O)Nc3cccc(C)n3)CC2=O)cc1
InChIInChI=1S/C20H23N3O3/c1-3-11-26-17-9-7-16(8-10-17)23-13-15(12-19(23)24)20(25)22-18-6-4-5-14(2)21-18/h4-10,15H,3,11-13H2,1-2H3,(H,21,22,25)/t15-/m0/s1
InChIKeyLBBVHFKPTIIMFJ-HNNXBMFYSA-N
MW353.42 g/mol
LogP3.17
Rot. Bonds6

About (3S)-N-(6-methyl-2-pyridinyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide

(3S)-N-(6-methyl-2-pyridinyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 7235791) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (3S)-N-(6-methyl-2-pyridinyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(6-methyl-2-pyridinyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID7235791
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(3S)-N-(6-methyl-2-pyridinyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
SMILESCCCOc1ccc(N2C[C@@H](C(=O)Nc3cccc(C)n3)CC2=O)cc1
InChIInChI=1S/C20H23N3O3/c1-3-11-26-17-9-7-16(8-10-17)23-13-15(12-19(23)24)20(25)22-18-6-4-5-14(2)21-18/h4-10,15H,3,11-13H2,1-2H3,(H,21,22,25)/t15-/m0/s1
InChIKeyLBBVHFKPTIIMFJ-HNNXBMFYSA-N
XLogP3.17
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-N-(6-methyl-2-pyridinyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-(2-methylphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 7236685
(3S)-N-(4-ethoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 7325492
N-(2,3-dichlorophenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 4202412
(3S)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carbohydrazide
CID 95165446
N-(3-ethoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 2968748
(3R)-N-(3-chlorophenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 2197777
(3R)-N-(4-acetylphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 7236687
(3S)-1-(4-butoxyphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 2293930
(3R)-N-(6-methyl-2-pyridinyl)-5-oxo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 51719157
N-(4-butoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785661
1-(3-bromophenyl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 42952846
methyl 5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylate
CID 10446211

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(6-methyl-2-pyridinyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(6-methyl-2-pyridinyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide (CID 7235791) is (3S)-N-(6-methyl-2-pyridinyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(6-methyl-2-pyridinyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(6-methyl-2-pyridinyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide is CCCOc1ccc(N2C[C@@H](C(=O)Nc3cccc(C)n3)CC2=O)cc1.
What is the InChIKey of (3S)-N-(6-methyl-2-pyridinyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is LBBVHFKPTIIMFJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-3-11-26-17-9-7-16(8-10-17)23-13-15(12-19(23)24)20(25)22-18-6-4-5-14(2)21-18/h4-10,15H,3,11-13H2,1-2H3,(H,21,22,25)/t15-/m0/s1.
What are the key properties of (3S)-N-(6-methyl-2-pyridinyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide?
(3S)-N-(6-methyl-2-pyridinyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(6-methyl-2-pyridinyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 7235791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).