1-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide

C25H30N4O4 — CID 55810152

IUPAC1-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCCOc1ccccc1N1CC(C(=O)N2CCCC(C(=O)Nc3ccc(C)cn3)C2)CC1=O
InChIInChI=1S/C25H30N4O4/c1-3-33-21-9-5-4-8-20(21)29-16-19(13-23(29)30)25(32)28-12-6-7-18(15-28)24(31)27-22-11-10-17(2)14-26-22/h4-5,8-11,14,18-19H,3,6-7,12-13,15-16H2,1-2H3,(H,26,27,31)
InChIKeyHRWMHFSTMNERFB-UHFFFAOYSA-N
MW450.54 g/mol
LogP3.02
Rot. Bonds6

About 1-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide

1-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 55810152) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is 1-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID55810152
Molecular FormulaC25H30N4O4
Molecular Weight450.54 g/mol
Exact Mass450.23
IUPAC Name1-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCCOc1ccccc1N1CC(C(=O)N2CCCC(C(=O)Nc3ccc(C)cn3)C2)CC1=O
InChIInChI=1S/C25H30N4O4/c1-3-33-21-9-5-4-8-20(21)29-16-19(13-23(29)30)25(32)28-12-6-7-18(15-28)24(31)27-22-11-10-17(2)14-26-22/h4-5,8-11,14,18-19H,3,6-7,12-13,15-16H2,1-2H3,(H,26,27,31)
InChIKeyHRWMHFSTMNERFB-UHFFFAOYSA-N
XLogP3.02
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 51265881
1-(2-ethoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 24980846
1-(2-ethoxypyridine-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55810089
1-(2-ethoxyphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 119402096
1-(2-ethoxyphenyl)-4-[4-(4-methylpiperazine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 55717950
1-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55810037
(3S)-1-(2-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2684734
2-[4-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 55603098
N-(5-bromo-2-pyridinyl)-1-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 55932291
ethyl 3-[[(3S)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1H-pyrazole-5-carboxylate
CID 97259978
ethyl 1-[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 47005232
(2R)-1-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119371077

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 55810152) is 1-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide is CCOc1ccccc1N1CC(C(=O)N2CCCC(C(=O)Nc3ccc(C)cn3)C2)CC1=O.
What is the InChIKey of 1-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is HRWMHFSTMNERFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4/c1-3-33-21-9-5-4-8-20(21)29-16-19(13-23(29)30)25(32)28-12-6-7-18(15-28)24(31)27-22-11-10-17(2)14-26-22/h4-5,8-11,14,18-19H,3,6-7,12-13,15-16H2,1-2H3,(H,26,27,31).
What are the key properties of 1-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
1-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 55810152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).