1-[(1-benzyl-2-oxo-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid

C18H19N3O4 — CID 122086570

IUPAC1-[(1-benzyl-2-oxo-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2cccn(Cc3ccccc3)c2=O)C1
InChIInChI=1S/C18H19N3O4/c22-16-15(19-18(25)21-10-8-14(12-21)17(23)24)7-4-9-20(16)11-13-5-2-1-3-6-13/h1-7,9,14H,8,10-12H2,(H,19,25)(H,23,24)
InChIKeyOSRUGKUDGVRQMF-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.84
Rot. Bonds4

About 1-[(1-benzyl-2-oxo-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid

1-[(1-benzyl-2-oxo-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 122086570) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 1-[(1-benzyl-2-oxo-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1-benzyl-2-oxo-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID122086570
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name1-[(1-benzyl-2-oxo-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2cccn(Cc3ccccc3)c2=O)C1
InChIInChI=1S/C18H19N3O4/c22-16-15(19-18(25)21-10-8-14(12-21)17(23)24)7-4-9-20(16)11-13-5-2-1-3-6-13/h1-7,9,14H,8,10-12H2,(H,19,25)(H,23,24)
InChIKeyOSRUGKUDGVRQMF-UHFFFAOYSA-N
XLogP1.84
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzyl-2-oxo-3-pyridinyl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 99696808
1-[(2-aminophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030879
1-(1-benzyl-2-oxo-3-pyridinyl)-3-cyclopropylurea
CID 167960559
1-(1-benzyl-2-oxo-3-pyridinyl)-3-(1-cyclopropylpiperidin-4-yl)urea
CID 71856012
1-[[2-(3-methoxypropoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122077530
1-[(2-benzyl-5-methylpyrazol-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075426
9-amino-N-(1-benzyl-2-oxo-3-pyridinyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992316
N-(1-benzyl-2-oxo-3-pyridinyl)-2-[(2S)-oxolan-2-yl]acetamide
CID 97053772
1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 169109303
1-[[2-(difluoromethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031385
1-[(3-chloro-2-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122077688
1-[(2-cyclopentylsulfanylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075791

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyl-2-oxo-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(1-benzyl-2-oxo-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 122086570) is 1-[(1-benzyl-2-oxo-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1-benzyl-2-oxo-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(1-benzyl-2-oxo-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)Nc2cccn(Cc3ccccc3)c2=O)C1.
What is the InChIKey of 1-[(1-benzyl-2-oxo-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is OSRUGKUDGVRQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c22-16-15(19-18(25)21-10-8-14(12-21)17(23)24)7-4-9-20(16)11-13-5-2-1-3-6-13/h1-7,9,14H,8,10-12H2,(H,19,25)(H,23,24).
What are the key properties of 1-[(1-benzyl-2-oxo-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid?
1-[(1-benzyl-2-oxo-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 341.37 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzyl-2-oxo-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122086570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).