4-[ethyl-(2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]pyridine-2-carboxylic acid

C19H19N3O4 — CID 119184961

IUPAC4-[ethyl-(2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]pyridine-2-carboxylic acid
SMILESCCN(C(=O)c1ccnc(C(=O)O)c1)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C19H19N3O4/c1-2-21(17(23)13-8-10-20-15(12-13)19(25)26)16-9-11-22(18(16)24)14-6-4-3-5-7-14/h3-8,10,12,16H,2,9,11H2,1H3,(H,25,26)
InChIKeyOEXJDXBNQHZQRV-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.05
Rot. Bonds5

About 4-[ethyl-(2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]pyridine-2-carboxylic acid

4-[ethyl-(2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 119184961) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 4-[ethyl-(2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-(2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID119184961
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name4-[ethyl-(2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]pyridine-2-carboxylic acid
SMILESCCN(C(=O)c1ccnc(C(=O)O)c1)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C19H19N3O4/c1-2-21(17(23)13-8-10-20-15(12-13)19(25)26)16-9-11-22(18(16)24)14-6-4-3-5-7-14/h3-8,10,12,16H,2,9,11H2,1H3,(H,25,26)
InChIKeyOEXJDXBNQHZQRV-UHFFFAOYSA-N
XLogP2.05
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 95315176
2-(aminomethyl)-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
CID 119783728
N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 136524921
5-amino-N-ethyl-2-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 120632566
2-amino-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide;hydrochloride
CID 119323654
N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[1.1.0]butane-1-carboxamide
CID 166427367
4-[butyl(cyclopropyl)carbamoyl]pyridine-2-carboxylic acid
CID 113263115
4-amino-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)pentanamide;hydrochloride
CID 120562641
3-ethoxy-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 136524772
3-(benzimidazol-1-yl)-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 126767257
4-[ethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730043
N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 56804641

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-(2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[ethyl-(2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]pyridine-2-carboxylic acid (CID 119184961) is 4-[ethyl-(2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[ethyl-(2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[ethyl-(2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]pyridine-2-carboxylic acid is CCN(C(=O)c1ccnc(C(=O)O)c1)C1CCN(c2ccccc2)C1=O.
What is the InChIKey of 4-[ethyl-(2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is OEXJDXBNQHZQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-2-21(17(23)13-8-10-20-15(12-13)19(25)26)16-9-11-22(18(16)24)14-6-4-3-5-7-14/h3-8,10,12,16H,2,9,11H2,1H3,(H,25,26).
What are the key properties of 4-[ethyl-(2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]pyridine-2-carboxylic acid?
4-[ethyl-(2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 353.38 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-(2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119184961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).