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

C17H23N3O4 — CID 108755534

IUPACethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(NC(=O)C2CC(=O)N(C(C)(C)C)C2)c1
InChIInChI=1S/C17H23N3O4/c1-5-24-16(23)11-6-7-18-13(8-11)19-15(22)12-9-14(21)20(10-12)17(2,3)4/h6-8,12H,5,9-10H2,1-4H3,(H,18,19,22)
InChIKeyHUMPJQJRVRPUHG-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.84
Rot. Bonds4

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

ethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-4-carboxylate (PubChem CID 108755534) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is ethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-4-carboxylate
PubChem CID108755534
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Nameethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(NC(=O)C2CC(=O)N(C(C)(C)C)C2)c1
InChIInChI=1S/C17H23N3O4/c1-5-24-16(23)11-6-7-18-13(8-11)19-15(22)12-9-14(21)20(10-12)17(2,3)4/h6-8,12H,5,9-10H2,1-4H3,(H,18,19,22)
InChIKeyHUMPJQJRVRPUHG-UHFFFAOYSA-N
XLogP1.84
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate
CID 6471772
ethyl 2-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-4-carboxylate
CID 108755533
ethyl 2-[[1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyridine-4-carboxylate
CID 108755540
ethyl 2-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]pyridine-4-carboxylate
CID 108755531
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 17118887
ethyl 5-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 108761568
diethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-5-methylfuran-3,4-dicarboxylate
CID 108762179
1-tert-butyl-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081100
ethyl 2-[[2-(2-methoxyethoxy)acetyl]amino]pyridine-4-carboxylate
CID 108731992
ethyl 5-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-1-quinolin-2-ylpyrazole-4-carboxylate
CID 108769140
1-tert-butyl-N-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081152
1-tert-butyl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 17081125

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-4-carboxylate?
The IUPAC name of ethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-4-carboxylate (CID 108755534) is ethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-4-carboxylate is CCOC(=O)c1ccnc(NC(=O)C2CC(=O)N(C(C)(C)C)C2)c1.
What is the InChIKey of ethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-4-carboxylate?
The InChIKey is HUMPJQJRVRPUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-5-24-16(23)11-6-7-18-13(8-11)19-15(22)12-9-14(21)20(10-12)17(2,3)4/h6-8,12H,5,9-10H2,1-4H3,(H,18,19,22).
What are the key properties of ethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-4-carboxylate?
ethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-4-carboxylate has a molecular weight of 333.39 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 108755534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).