1-(5-bromo-4-methyl-2-pyridinyl)-3-(3-methylphenyl)urea

C14H14BrN3O — CID 79729955

IUPAC1-(5-bromo-4-methyl-2-pyridinyl)-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2cc(C)c(Br)cn2)c1
InChIInChI=1S/C14H14BrN3O/c1-9-4-3-5-11(6-9)17-14(19)18-13-7-10(2)12(15)8-16-13/h3-8H,1-2H3,(H2,16,17,18,19)
InChIKeyQZDMYDCIPDANTO-UHFFFAOYSA-N
MW320.19 g/mol
LogP4.10
Rot. Bonds2

About 1-(5-bromo-4-methyl-2-pyridinyl)-3-(3-methylphenyl)urea

1-(5-bromo-4-methyl-2-pyridinyl)-3-(3-methylphenyl)urea (PubChem CID 79729955) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 1-(5-bromo-4-methyl-2-pyridinyl)-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-(5-bromo-4-methyl-2-pyridinyl)-3-(3-methylphenyl)urea
PubChem CID79729955
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name1-(5-bromo-4-methyl-2-pyridinyl)-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2cc(C)c(Br)cn2)c1
InChIInChI=1S/C14H14BrN3O/c1-9-4-3-5-11(6-9)17-14(19)18-13-7-10(2)12(15)8-16-13/h3-8H,1-2H3,(H2,16,17,18,19)
InChIKeyQZDMYDCIPDANTO-UHFFFAOYSA-N
XLogP4.10
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea
CID 55262140
1-(3-methylphenyl)-3-(6-methyl-2-pyridinyl)urea
CID 6468393
1-hydroxy-3-(3-methylphenyl)urea
CID 10034960
1-(3-methylphenyl)-3-(1,2-oxazol-3-yl)urea
CID 108811855
1-(3,4-dimethylphenyl)-3-(3-methylphenyl)urea
CID 2985670
1-(4-bromo-3-methylphenyl)-3-[3-[(4-bromo-3-methylphenyl)carbamoylamino]phenyl]urea
CID 139171111
2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide
CID 113339789
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 79734217
N-(5-bromo-4-methyl-2-pyridinyl)-2-fluoro-5-methylbenzamide
CID 79733422
1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea
CID 1239967
ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 144571774

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methyl-2-pyridinyl)-3-(3-methylphenyl)urea?
The IUPAC name of 1-(5-bromo-4-methyl-2-pyridinyl)-3-(3-methylphenyl)urea (CID 79729955) is 1-(5-bromo-4-methyl-2-pyridinyl)-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-(5-bromo-4-methyl-2-pyridinyl)-3-(3-methylphenyl)urea?
The canonical SMILES for 1-(5-bromo-4-methyl-2-pyridinyl)-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2cc(C)c(Br)cn2)c1.
What is the InChIKey of 1-(5-bromo-4-methyl-2-pyridinyl)-3-(3-methylphenyl)urea?
The InChIKey is QZDMYDCIPDANTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-9-4-3-5-11(6-9)17-14(19)18-13-7-10(2)12(15)8-16-13/h3-8H,1-2H3,(H2,16,17,18,19).
What are the key properties of 1-(5-bromo-4-methyl-2-pyridinyl)-3-(3-methylphenyl)urea?
1-(5-bromo-4-methyl-2-pyridinyl)-3-(3-methylphenyl)urea has a molecular weight of 320.19 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methyl-2-pyridinyl)-3-(3-methylphenyl)urea is sourced from PubChem (CID 79729955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).