ethyl 2-[[1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyridine-4-carboxylate

C22H25N3O4 — CID 108755540

IUPACethyl 2-[[1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(NC(=O)C2CC(=O)N(c3c(C)cccc3CC)C2)c1
InChIInChI=1S/C22H25N3O4/c1-4-15-8-6-7-14(3)20(15)25-13-17(12-19(25)26)21(27)24-18-11-16(9-10-23-18)22(28)29-5-2/h6-11,17H,4-5,12-13H2,1-3H3,(H,23,24,27)
InChIKeyRHRGEHZPDHXHPY-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.12
Rot. Bonds6

About ethyl 2-[[1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyridine-4-carboxylate

ethyl 2-[[1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyridine-4-carboxylate (PubChem CID 108755540) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is ethyl 2-[[1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyridine-4-carboxylate
PubChem CID108755540
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Nameethyl 2-[[1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(NC(=O)C2CC(=O)N(c3c(C)cccc3CC)C2)c1
InChIInChI=1S/C22H25N3O4/c1-4-15-8-6-7-14(3)20(15)25-13-17(12-19(25)26)21(27)24-18-11-16(9-10-23-18)22(28)29-5-2/h6-11,17H,4-5,12-13H2,1-3H3,(H,23,24,27)
InChIKeyRHRGEHZPDHXHPY-UHFFFAOYSA-N
XLogP3.12
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113186501
ethyl 2-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-4-carboxylate
CID 108755533
ethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-4-carboxylate
CID 108755534
N-(2-ethoxyphenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186469
N-(2,6-dichlorophenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186499
N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108768488
ethyl 2-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]pyridine-4-carboxylate
CID 108755531
(3R)-1-(2,6-diethylphenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056356
1-(2-ethyl-6-methylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186454
N-cyclohexyl-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186367
(3R)-1-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056326
ethyl 4-[[5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carbonyl]amino]benzoate
CID 113186826

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyridine-4-carboxylate?
The IUPAC name of ethyl 2-[[1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyridine-4-carboxylate (CID 108755540) is ethyl 2-[[1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-[[1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-[[1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyridine-4-carboxylate is CCOC(=O)c1ccnc(NC(=O)C2CC(=O)N(c3c(C)cccc3CC)C2)c1.
What is the InChIKey of ethyl 2-[[1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyridine-4-carboxylate?
The InChIKey is RHRGEHZPDHXHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-4-15-8-6-7-14(3)20(15)25-13-17(12-19(25)26)21(27)24-18-11-16(9-10-23-18)22(28)29-5-2/h6-11,17H,4-5,12-13H2,1-3H3,(H,23,24,27).
What are the key properties of ethyl 2-[[1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyridine-4-carboxylate?
ethyl 2-[[1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyridine-4-carboxylate has a molecular weight of 395.46 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyridine-4-carboxylate is sourced from PubChem (CID 108755540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).