1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(6-methyl-3-pyridinyl)urea

C15H14FN3O — CID 108908260

IUPAC1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(6-methyl-3-pyridinyl)urea
SMILESCc1ccc(NC(=O)N/C=C/c2ccc(F)cc2)cn1
InChIInChI=1S/C15H14FN3O/c1-11-2-7-14(10-18-11)19-15(20)17-9-8-12-3-5-13(16)6-4-12/h2-10H,1H3,(H2,17,19,20)/b9-8+
InChIKeyHRILCXUNLDUPSS-CMDGGOBGSA-N
MW271.30 g/mol
LogP3.32
Rot. Bonds3

About 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(6-methyl-3-pyridinyl)urea

1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(6-methyl-3-pyridinyl)urea (PubChem CID 108908260) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(6-methyl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(6-methyl-3-pyridinyl)urea
PubChem CID108908260
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(6-methyl-3-pyridinyl)urea
SMILESCc1ccc(NC(=O)N/C=C/c2ccc(F)cc2)cn1
InChIInChI=1S/C15H14FN3O/c1-11-2-7-14(10-18-11)19-15(20)17-9-8-12-3-5-13(16)6-4-12/h2-10H,1H3,(H2,17,19,20)/b9-8+
InChIKeyHRILCXUNLDUPSS-CMDGGOBGSA-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-(4-fluorophenyl)ethenyl]-3-phenylurea
CID 108908068
1-(3,4-dichlorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108907926
1,3-bis(6-methyl-3-pyridinyl)urea
CID 102308841
1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108907908
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-methylphenyl)urea
CID 108908655
1-(2,4-difluorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108908226
1-(5-chloro-2-methylphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108908002
1-(4-chloro-3-nitrophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108908008
1-(2-chloro-4,6-dimethylphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108908195
1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea
CID 108865035
methyl 2-[[(E)-2-(4-fluorophenyl)ethenyl]carbamoylamino]acetate
CID 108908234
1-(4-fluorophenyl)-3-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]urea
CID 71496034

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(6-methyl-3-pyridinyl)urea?
The IUPAC name of 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(6-methyl-3-pyridinyl)urea (CID 108908260) is 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(6-methyl-3-pyridinyl)urea.
What is the SMILES notation for 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(6-methyl-3-pyridinyl)urea?
The canonical SMILES for 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(6-methyl-3-pyridinyl)urea is Cc1ccc(NC(=O)N/C=C/c2ccc(F)cc2)cn1.
What is the InChIKey of 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(6-methyl-3-pyridinyl)urea?
The InChIKey is HRILCXUNLDUPSS-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-11-2-7-14(10-18-11)19-15(20)17-9-8-12-3-5-13(16)6-4-12/h2-10H,1H3,(H2,17,19,20)/b9-8+.
What are the key properties of 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(6-methyl-3-pyridinyl)urea?
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(6-methyl-3-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-(4-fluorophenyl)ethenyl]-3-(6-methyl-3-pyridinyl)urea is sourced from PubChem (CID 108908260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).