1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-pyridin-3-ylethyl)urea

C18H20N4O2 — CID 86988033

IUPAC1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-pyridin-3-ylethyl)urea
SMILESO=C(NCCc1cccnc1)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H20N4O2/c23-17-7-3-11-22(17)16-6-1-5-15(12-16)21-18(24)20-10-8-14-4-2-9-19-13-14/h1-2,4-6,9,12-13H,3,7-8,10-11H2,(H2,20,21,24)
InChIKeyZZFXNXVJXRKSCU-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.57
Rot. Bonds5

About 1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-pyridin-3-ylethyl)urea

1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-pyridin-3-ylethyl)urea (PubChem CID 86988033) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-pyridin-3-ylethyl)urea.

Molecular Properties

Compound Name1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-pyridin-3-ylethyl)urea
PubChem CID86988033
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-pyridin-3-ylethyl)urea
SMILESO=C(NCCc1cccnc1)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H20N4O2/c23-17-7-3-11-22(17)16-6-1-5-15(12-16)21-18(24)20-10-8-14-4-2-9-19-13-14/h1-2,4-6,9,12-13H,3,7-8,10-11H2,(H2,20,21,24)
InChIKeyZZFXNXVJXRKSCU-UHFFFAOYSA-N
XLogP2.57
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 134056865
1-(2-benzylsulfanylethyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 72845040
1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-[3-(1,2,4-triazol-4-yl)propyl]urea
CID 118782997
1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[3-(pyridin-3-ylamino)propyl]urea
CID 72909132
1-[(4-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 38169682
1-(2-cyclopentylsulfanylethyl)-3-[3-(2-oxopiperidin-1-yl)phenyl]urea
CID 47033900
1-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 100758110
N,N-diethyl-3-(2-pyridin-3-ylethylcarbamoylamino)benzamide
CID 86987634
1-(2-pyridin-3-ylethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 86988232
1-(4-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 7686904
N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 51125155
1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 38169678

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-pyridin-3-ylethyl)urea?
The IUPAC name of 1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-pyridin-3-ylethyl)urea (CID 86988033) is 1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-pyridin-3-ylethyl)urea.
What is the SMILES notation for 1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-pyridin-3-ylethyl)urea?
The canonical SMILES for 1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-pyridin-3-ylethyl)urea is O=C(NCCc1cccnc1)Nc1cccc(N2CCCC2=O)c1.
What is the InChIKey of 1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-pyridin-3-ylethyl)urea?
The InChIKey is ZZFXNXVJXRKSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c23-17-7-3-11-22(17)16-6-1-5-15(12-16)21-18(24)20-10-8-14-4-2-9-19-13-14/h1-2,4-6,9,12-13H,3,7-8,10-11H2,(H2,20,21,24).
What are the key properties of 1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-pyridin-3-ylethyl)urea?
1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-pyridin-3-ylethyl)urea has a molecular weight of 324.38 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-pyridin-3-ylethyl)urea is sourced from PubChem (CID 86988033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).