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

C15H14BrN3O — CID 108906986

IUPAC1-[(E)-2-(3-bromophenyl)ethenyl]-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)N/C=C/c2cccc(Br)c2)n1
InChIInChI=1S/C15H14BrN3O/c1-11-4-2-7-14(18-11)19-15(20)17-9-8-12-5-3-6-13(16)10-12/h2-10H,1H3,(H2,17,18,19,20)/b9-8+
InChIKeyJYJQURCVQUQYGT-CMDGGOBGSA-N
MW332.20 g/mol
LogP3.94
Rot. Bonds3

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

1-[(E)-2-(3-bromophenyl)ethenyl]-3-(6-methyl-2-pyridinyl)urea (PubChem CID 108906986) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 1-[(E)-2-(3-bromophenyl)ethenyl]-3-(6-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[(E)-2-(3-bromophenyl)ethenyl]-3-(6-methyl-2-pyridinyl)urea
PubChem CID108906986
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name1-[(E)-2-(3-bromophenyl)ethenyl]-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)N/C=C/c2cccc(Br)c2)n1
InChIInChI=1S/C15H14BrN3O/c1-11-4-2-7-14(18-11)19-15(20)17-9-8-12-5-3-6-13(16)10-12/h2-10H,1H3,(H2,17,18,19,20)/b9-8+
InChIKeyJYJQURCVQUQYGT-CMDGGOBGSA-N
XLogP3.94
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-2-(3-bromophenyl)ethenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 108906932
1-[(E)-2-(3-bromophenyl)ethenyl]-3-(2,3-dimethylphenyl)urea
CID 108906906
1-[(E)-2-(3-bromophenyl)ethenyl]-3-naphthalen-2-ylurea
CID 108907013
1-[(E)-2-(3-bromophenyl)ethenyl]-3-(3,4-dimethoxyphenyl)urea
CID 108906792
3-[[(E)-2-(3-bromophenyl)ethenyl]carbamoylamino]benzoic acid
CID 108906795
1-[(E)-2-(3-bromophenyl)ethenyl]-3-(3-methoxyphenyl)urea
CID 108906934
1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(2-methylphenyl)methyl]urea
CID 108907123
4-[[(E)-2-(3-bromophenyl)ethenyl]carbamoylamino]benzenesulfonic acid
CID 108906803
1-(6-methyl-2-pyridinyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
CID 108915110
3-[[(E)-2-(3-bromophenyl)ethenyl]carbamoylamino]benzenesulfonic acid
CID 108906804
1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(4-bromophenyl)methyl]urea
CID 108907130
1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108906861

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(3-bromophenyl)ethenyl]-3-(6-methyl-2-pyridinyl)urea?
The IUPAC name of 1-[(E)-2-(3-bromophenyl)ethenyl]-3-(6-methyl-2-pyridinyl)urea (CID 108906986) is 1-[(E)-2-(3-bromophenyl)ethenyl]-3-(6-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-[(E)-2-(3-bromophenyl)ethenyl]-3-(6-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-[(E)-2-(3-bromophenyl)ethenyl]-3-(6-methyl-2-pyridinyl)urea is Cc1cccc(NC(=O)N/C=C/c2cccc(Br)c2)n1.
What is the InChIKey of 1-[(E)-2-(3-bromophenyl)ethenyl]-3-(6-methyl-2-pyridinyl)urea?
The InChIKey is JYJQURCVQUQYGT-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H14BrN3O/c1-11-4-2-7-14(18-11)19-15(20)17-9-8-12-5-3-6-13(16)10-12/h2-10H,1H3,(H2,17,18,19,20)/b9-8+.
What are the key properties of 1-[(E)-2-(3-bromophenyl)ethenyl]-3-(6-methyl-2-pyridinyl)urea?
1-[(E)-2-(3-bromophenyl)ethenyl]-3-(6-methyl-2-pyridinyl)urea has a molecular weight of 332.20 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(3-bromophenyl)ethenyl]-3-(6-methyl-2-pyridinyl)urea is sourced from PubChem (CID 108906986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).