1-[2-(4-bromophenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea

C15H16BrN3O — CID 108902373

IUPAC1-[2-(4-bromophenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)NCCc2ccc(Br)cc2)n1
InChIInChI=1S/C15H16BrN3O/c1-11-3-2-4-14(18-11)19-15(20)17-10-9-12-5-7-13(16)8-6-12/h2-8H,9-10H2,1H3,(H2,17,18,19,20)
InChIKeyRPAXRKZQNVJYFF-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.52
Rot. Bonds4

About 1-[2-(4-bromophenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea

1-[2-(4-bromophenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea (PubChem CID 108902373) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea
PubChem CID108902373
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name1-[2-(4-bromophenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)NCCc2ccc(Br)cc2)n1
InChIInChI=1S/C15H16BrN3O/c1-11-3-2-4-14(18-11)19-15(20)17-10-9-12-5-7-13(16)8-6-12/h2-8H,9-10H2,1H3,(H2,17,18,19,20)
InChIKeyRPAXRKZQNVJYFF-UHFFFAOYSA-N
XLogP3.52
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-methyl-2-pyridinyl)-3-(2-phenylethyl)urea
CID 108888073
1-[2-(3-methylphenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea
CID 108900770
3-[[N-[2-(4-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 111230119
1-[2-(4-bromophenyl)ethyl]-3-(3,4-dimethylphenyl)urea
CID 108894116
1-(2-methoxyethoxymethyl)-3-(6-methyl-2-pyridinyl)urea
CID 108894432
1-(6-methyl-2-pyridinyl)-3-(2-phenoxyethyl)urea
CID 108887059
1-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)urea
CID 934768
1-(6-methyl-2-pyridinyl)-3-(3-phenoxypropyl)urea
CID 108883164
1-[2-(4-bromophenyl)ethyl]-3-(2,3-dichlorophenyl)urea
CID 108902238
1-[2-(4-methylpyrazol-1-yl)ethyl]-3-(6-methyl-2-pyridinyl)urea
CID 75507984
2-(4-butylphenyl)-N-(6-methyl-2-pyridinyl)acetamide
CID 46651760
1-[2-(4-bromophenyl)ethyl]-3-(3-chloro-4-methylphenyl)urea
CID 108902232

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea?
The IUPAC name of 1-[2-(4-bromophenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea (CID 108902373) is 1-[2-(4-bromophenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-[2-(4-bromophenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-[2-(4-bromophenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea is Cc1cccc(NC(=O)NCCc2ccc(Br)cc2)n1.
What is the InChIKey of 1-[2-(4-bromophenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea?
The InChIKey is RPAXRKZQNVJYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-11-3-2-4-14(18-11)19-15(20)17-10-9-12-5-7-13(16)8-6-12/h2-8H,9-10H2,1H3,(H2,17,18,19,20).
What are the key properties of 1-[2-(4-bromophenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea?
1-[2-(4-bromophenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea has a molecular weight of 334.22 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea is sourced from PubChem (CID 108902373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).