1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(6-methyl-2-pyridinyl)urea

C17H17FN4O2 — CID 18564399

IUPAC1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)NC2CC(=O)N(c3cccc(F)c3)C2)n1
InChIInChI=1S/C17H17FN4O2/c1-11-4-2-7-15(19-11)21-17(24)20-13-9-16(23)22(10-13)14-6-3-5-12(18)8-14/h2-8,13H,9-10H2,1H3,(H2,19,20,21,24)
InChIKeyAEGAUDYRDZPCNL-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.46
Rot. Bonds3

About 1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(6-methyl-2-pyridinyl)urea

1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(6-methyl-2-pyridinyl)urea (PubChem CID 18564399) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(6-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(6-methyl-2-pyridinyl)urea
PubChem CID18564399
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)NC2CC(=O)N(c3cccc(F)c3)C2)n1
InChIInChI=1S/C17H17FN4O2/c1-11-4-2-7-15(19-11)21-17(24)20-13-9-16(23)22(10-13)14-6-3-5-12(18)8-14/h2-8,13H,9-10H2,1H3,(H2,19,20,21,24)
InChIKeyAEGAUDYRDZPCNL-UHFFFAOYSA-N
XLogP2.46
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(6-methyl-2-pyridinyl)urea?
The IUPAC name of 1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(6-methyl-2-pyridinyl)urea (CID 18564399) is 1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(6-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(6-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(6-methyl-2-pyridinyl)urea is Cc1cccc(NC(=O)NC2CC(=O)N(c3cccc(F)c3)C2)n1.
What is the InChIKey of 1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(6-methyl-2-pyridinyl)urea?
The InChIKey is AEGAUDYRDZPCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c1-11-4-2-7-15(19-11)21-17(24)20-13-9-16(23)22(10-13)14-6-3-5-12(18)8-14/h2-8,13H,9-10H2,1H3,(H2,19,20,21,24).
What are the key properties of 1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(6-methyl-2-pyridinyl)urea?
1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(6-methyl-2-pyridinyl)urea has a molecular weight of 328.35 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(6-methyl-2-pyridinyl)urea is sourced from PubChem (CID 18564399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).