1-[(E)-2-(2-fluorophenyl)ethenyl]-3-(4-methyl-2-pyridinyl)urea

C15H14FN3O — CID 108904487

IUPAC1-[(E)-2-(2-fluorophenyl)ethenyl]-3-(4-methyl-2-pyridinyl)urea
SMILESCc1ccnc(NC(=O)N/C=C/c2ccccc2F)c1
InChIInChI=1S/C15H14FN3O/c1-11-6-8-17-14(10-11)19-15(20)18-9-7-12-4-2-3-5-13(12)16/h2-10H,1H3,(H2,17,18,19,20)/b9-7+
InChIKeyMYXCFWSDQWTHDE-VQHVLOKHSA-N
MW271.30 g/mol
LogP3.32
Rot. Bonds3

About 1-[(E)-2-(2-fluorophenyl)ethenyl]-3-(4-methyl-2-pyridinyl)urea

1-[(E)-2-(2-fluorophenyl)ethenyl]-3-(4-methyl-2-pyridinyl)urea (PubChem CID 108904487) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 1-[(E)-2-(2-fluorophenyl)ethenyl]-3-(4-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[(E)-2-(2-fluorophenyl)ethenyl]-3-(4-methyl-2-pyridinyl)urea
PubChem CID108904487
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name1-[(E)-2-(2-fluorophenyl)ethenyl]-3-(4-methyl-2-pyridinyl)urea
SMILESCc1ccnc(NC(=O)N/C=C/c2ccccc2F)c1
InChIInChI=1S/C15H14FN3O/c1-11-6-8-17-14(10-11)19-15(20)18-9-7-12-4-2-3-5-13(12)16/h2-10H,1H3,(H2,17,18,19,20)/b9-7+
InChIKeyMYXCFWSDQWTHDE-VQHVLOKHSA-N
XLogP3.32
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-2-cyclohexylethenyl]-3-(4-methyl-2-pyridinyl)urea
CID 108912290
1-[(E)-2-(2-fluorophenyl)ethenyl]-3-(4-hydroxy-2-methylphenyl)urea
CID 108904260
1-(2,3-dimethylphenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904298
1-ethyl-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904341
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904481
1-(2-chlorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904209
1-(3-chloro-4-fluorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904433
1-(4-methyl-2-pyridinyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892618
N-(4-methyl-2-pyridinyl)-2-phenylacetamide
CID 4232423
(E)-3-(2-fluorophenyl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]prop-2-enamide
CID 122288699
1-[(E)-2-(2-fluorophenyl)ethenyl]-3-[(2-methylphenyl)methyl]urea
CID 108904515
1-[(E)-2-(2-fluorophenyl)ethenyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 108904384

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(2-fluorophenyl)ethenyl]-3-(4-methyl-2-pyridinyl)urea?
The IUPAC name of 1-[(E)-2-(2-fluorophenyl)ethenyl]-3-(4-methyl-2-pyridinyl)urea (CID 108904487) is 1-[(E)-2-(2-fluorophenyl)ethenyl]-3-(4-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-[(E)-2-(2-fluorophenyl)ethenyl]-3-(4-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-[(E)-2-(2-fluorophenyl)ethenyl]-3-(4-methyl-2-pyridinyl)urea is Cc1ccnc(NC(=O)N/C=C/c2ccccc2F)c1.
What is the InChIKey of 1-[(E)-2-(2-fluorophenyl)ethenyl]-3-(4-methyl-2-pyridinyl)urea?
The InChIKey is MYXCFWSDQWTHDE-VQHVLOKHSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-11-6-8-17-14(10-11)19-15(20)18-9-7-12-4-2-3-5-13(12)16/h2-10H,1H3,(H2,17,18,19,20)/b9-7+.
What are the key properties of 1-[(E)-2-(2-fluorophenyl)ethenyl]-3-(4-methyl-2-pyridinyl)urea?
1-[(E)-2-(2-fluorophenyl)ethenyl]-3-(4-methyl-2-pyridinyl)urea has a molecular weight of 271.30 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(2-fluorophenyl)ethenyl]-3-(4-methyl-2-pyridinyl)urea is sourced from PubChem (CID 108904487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).