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

C20H21N3O4 — CID 108755533

IUPACethyl 2-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)c1
InChIInChI=1S/C20H21N3O4/c1-2-27-20(26)15-8-9-21-17(10-15)22-19(25)16-11-18(24)23(13-16)12-14-6-4-3-5-7-14/h3-10,16H,2,11-13H2,1H3,(H,21,22,25)
InChIKeyZZNISKFNVIINTQ-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.25
Rot. Bonds6

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

ethyl 2-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-4-carboxylate (PubChem CID 108755533) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is ethyl 2-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-4-carboxylate
PubChem CID108755533
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Nameethyl 2-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)c1
InChIInChI=1S/C20H21N3O4/c1-2-27-20(26)15-8-9-21-17(10-15)22-19(25)16-11-18(24)23(13-16)12-14-6-4-3-5-7-14/h3-10,16H,2,11-13H2,1H3,(H,21,22,25)
InChIKeyZZNISKFNVIINTQ-UHFFFAOYSA-N
XLogP2.25
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 8885570
ethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-4-carboxylate
CID 108755534
ethyl 2-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]pyridine-4-carboxylate
CID 108755531
ethyl 2-[[1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyridine-4-carboxylate
CID 108755540
ethyl 5-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylthiophene-2-carboxylate
CID 42905570
(3S)-1-benzyl-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 29137132
ethyl 4-[[(3R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 8885474
(3R)-1-benzyl-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40606403
butyl 4-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate
CID 18170420
methyl 4-[[(3R)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 8018544
methyl 4-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 8018551
1-benzyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 4883514

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-4-carboxylate?
The IUPAC name of ethyl 2-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-4-carboxylate (CID 108755533) is ethyl 2-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-4-carboxylate is CCOC(=O)c1ccnc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)c1.
What is the InChIKey of ethyl 2-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-4-carboxylate?
The InChIKey is ZZNISKFNVIINTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-2-27-20(26)15-8-9-21-17(10-15)22-19(25)16-11-18(24)23(13-16)12-14-6-4-3-5-7-14/h3-10,16H,2,11-13H2,1H3,(H,21,22,25).
What are the key properties of ethyl 2-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-4-carboxylate?
ethyl 2-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-4-carboxylate has a molecular weight of 367.41 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 108755533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).