1-(5-bromo-3-methyl-2-pyridinyl)-3-[3-(1-hydroxyethyl)phenyl]urea

C15H16BrN3O2 — CID 83168791

IUPAC1-(5-bromo-3-methyl-2-pyridinyl)-3-[3-(1-hydroxyethyl)phenyl]urea
SMILESCc1cc(Br)cnc1NC(=O)Nc1cccc(C(C)O)c1
InChIInChI=1S/C15H16BrN3O2/c1-9-6-12(16)8-17-14(9)19-15(21)18-13-5-3-4-11(7-13)10(2)20/h3-8,10,20H,1-2H3,(H2,17,18,19,21)
InChIKeyPZQUPALLYYTXEE-UHFFFAOYSA-N
MW350.22 g/mol
LogP3.85
Rot. Bonds3

About 1-(5-bromo-3-methyl-2-pyridinyl)-3-[3-(1-hydroxyethyl)phenyl]urea

1-(5-bromo-3-methyl-2-pyridinyl)-3-[3-(1-hydroxyethyl)phenyl]urea (PubChem CID 83168791) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is 1-(5-bromo-3-methyl-2-pyridinyl)-3-[3-(1-hydroxyethyl)phenyl]urea.

Molecular Properties

Compound Name1-(5-bromo-3-methyl-2-pyridinyl)-3-[3-(1-hydroxyethyl)phenyl]urea
PubChem CID83168791
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC Name1-(5-bromo-3-methyl-2-pyridinyl)-3-[3-(1-hydroxyethyl)phenyl]urea
SMILESCc1cc(Br)cnc1NC(=O)Nc1cccc(C(C)O)c1
InChIInChI=1S/C15H16BrN3O2/c1-9-6-12(16)8-17-14(9)19-15(21)18-13-5-3-4-11(7-13)10(2)20/h3-8,10,20H,1-2H3,(H2,17,18,19,21)
InChIKeyPZQUPALLYYTXEE-UHFFFAOYSA-N
XLogP3.85
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61341059
1-(5-bromo-3-methyl-2-pyridinyl)-3-(3-cyanophenyl)urea
CID 83170863
1-[3-(1-hydroxyethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea
CID 61346275
1-(5-bromo-3-methyl-2-pyridinyl)-3-propan-2-ylurea
CID 83170861
1-(5-bromo-2-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61339972
1-(4-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 43508550
4-bromo-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 11841391
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61341795
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61466520
1-[3-(1-hydroxyethyl)phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea
CID 62841564
3,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide
CID 91676952
1-(2-fluoro-4-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61346672

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyl-2-pyridinyl)-3-[3-(1-hydroxyethyl)phenyl]urea?
The IUPAC name of 1-(5-bromo-3-methyl-2-pyridinyl)-3-[3-(1-hydroxyethyl)phenyl]urea (CID 83168791) is 1-(5-bromo-3-methyl-2-pyridinyl)-3-[3-(1-hydroxyethyl)phenyl]urea.
What is the SMILES notation for 1-(5-bromo-3-methyl-2-pyridinyl)-3-[3-(1-hydroxyethyl)phenyl]urea?
The canonical SMILES for 1-(5-bromo-3-methyl-2-pyridinyl)-3-[3-(1-hydroxyethyl)phenyl]urea is Cc1cc(Br)cnc1NC(=O)Nc1cccc(C(C)O)c1.
What is the InChIKey of 1-(5-bromo-3-methyl-2-pyridinyl)-3-[3-(1-hydroxyethyl)phenyl]urea?
The InChIKey is PZQUPALLYYTXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c1-9-6-12(16)8-17-14(9)19-15(21)18-13-5-3-4-11(7-13)10(2)20/h3-8,10,20H,1-2H3,(H2,17,18,19,21).
What are the key properties of 1-(5-bromo-3-methyl-2-pyridinyl)-3-[3-(1-hydroxyethyl)phenyl]urea?
1-(5-bromo-3-methyl-2-pyridinyl)-3-[3-(1-hydroxyethyl)phenyl]urea has a molecular weight of 350.22 g/mol, XLogP of 3.85, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyl-2-pyridinyl)-3-[3-(1-hydroxyethyl)phenyl]urea is sourced from PubChem (CID 83168791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).