1-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea

C17H17ClN4O2 — CID 56787564

IUPAC1-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)NC1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C17H17ClN4O2/c18-13-5-1-2-6-15(13)22-9-7-14(16(22)23)21-17(24)20-11-12-4-3-8-19-10-12/h1-6,8,10,14H,7,9,11H2,(H2,20,21,24)
InChIKeyYBSLEXIAMYDEIV-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.34
Rot. Bonds4

About 1-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea

1-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 56787564) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea
PubChem CID56787564
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name1-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)NC1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C17H17ClN4O2/c18-13-5-1-2-6-15(13)22-9-7-14(16(22)23)21-17(24)20-11-12-4-3-8-19-10-12/h1-6,8,10,14H,7,9,11H2,(H2,20,21,24)
InChIKeyYBSLEXIAMYDEIV-UHFFFAOYSA-N
XLogP2.34
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-3-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]urea
CID 154748467
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-3-ylpropanamide
CID 56786587
1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-ethylurea
CID 71994500
(3S)-1-(2-benzylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 92986928
cis-(1R,3S)-3-(pyridin-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106324252
N'-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 44998655
1-(2-chlorophenyl)-3-[(3-methylimidazol-4-yl)methylamino]pyrrolidin-2-one
CID 119128736
(3S)-1-(2-chlorophenyl)-3-[(3-methylimidazol-4-yl)methylamino]pyrrolidin-2-one
CID 124556757
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
1-[4-[[(2-chlorophenyl)methylsulfinylamino]methyl]cyclohexyl]-3-(pyridin-3-ylmethyl)urea;hydrate
CID 157058957
N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 95620292

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea (CID 56787564) is 1-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea is O=C(NCc1cccnc1)NC1CCN(c2ccccc2Cl)C1=O.
What is the InChIKey of 1-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea?
The InChIKey is YBSLEXIAMYDEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c18-13-5-1-2-6-15(13)22-9-7-14(16(22)23)21-17(24)20-11-12-4-3-8-19-10-12/h1-6,8,10,14H,7,9,11H2,(H2,20,21,24).
What are the key properties of 1-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea?
1-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 344.80 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 56787564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).