5-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid

C17H14ClN3O4 — CID 119137618

IUPAC5-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(NC1CCN(c2ccc(Cl)cc2)C1=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C17H14ClN3O4/c18-11-2-4-12(5-3-11)21-8-7-13(16(21)23)20-15(22)10-1-6-14(17(24)25)19-9-10/h1-6,9,13H,7-8H2,(H,20,22)(H,24,25)
InChIKeyDJQXBJWEHISJGE-UHFFFAOYSA-N
MW359.77 g/mol
LogP1.97
Rot. Bonds4

About 5-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid

5-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 119137618) has the molecular formula C17H14ClN3O4 and a molecular weight of 359.77 g/mol. Its IUPAC name is 5-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID119137618
Molecular FormulaC17H14ClN3O4
Molecular Weight359.77 g/mol
Exact Mass359.07
IUPAC Name5-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(NC1CCN(c2ccc(Cl)cc2)C1=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C17H14ClN3O4/c18-11-2-4-12(5-3-11)21-8-7-13(16(21)23)20-15(22)10-1-6-14(17(24)25)19-9-10/h1-6,9,13H,7-8H2,(H,20,22)(H,24,25)
InChIKeyDJQXBJWEHISJGE-UHFFFAOYSA-N
XLogP1.97
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.77
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid
CID 119159997
2-[3-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid
CID 167800809
2-(aminomethyl)-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 119798476
3-fluoro-4-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234414
N-[(3R)-1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]-1H-pyrrole-3-carboxamide
CID 97340463
1-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122003176
4-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122003178
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-5-cyclopropyl-1-propylpyrazole-4-carboxamide
CID 138996410
5-(cyclooctylcarbamoyl)pyridine-2-carboxylic acid
CID 43414727
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide
CID 119798470
3,4-dimethoxy-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 136524569
N-[(3R)-1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide
CID 97329341

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid (CID 119137618) is 5-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid is O=C(NC1CCN(c2ccc(Cl)cc2)C1=O)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is DJQXBJWEHISJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O4/c18-11-2-4-12(5-3-11)21-8-7-13(16(21)23)20-15(22)10-1-6-14(17(24)25)19-9-10/h1-6,9,13H,7-8H2,(H,20,22)(H,24,25).
What are the key properties of 5-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid?
5-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 359.77 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119137618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).