1-(5-bromo-3-methyl-2-pyridinyl)-3-(3-cyanophenyl)urea

C14H11BrN4O — CID 83170863

IUPAC1-(5-bromo-3-methyl-2-pyridinyl)-3-(3-cyanophenyl)urea
SMILESCc1cc(Br)cnc1NC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C14H11BrN4O/c1-9-5-11(15)8-17-13(9)19-14(20)18-12-4-2-3-10(6-12)7-16/h2-6,8H,1H3,(H2,17,18,19,20)
InChIKeyMMFPZOJOKPACSD-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.67
Rot. Bonds2

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

1-(5-bromo-3-methyl-2-pyridinyl)-3-(3-cyanophenyl)urea (PubChem CID 83170863) has the molecular formula C14H11BrN4O and a molecular weight of 331.17 g/mol. Its IUPAC name is 1-(5-bromo-3-methyl-2-pyridinyl)-3-(3-cyanophenyl)urea.

Molecular Properties

Compound Name1-(5-bromo-3-methyl-2-pyridinyl)-3-(3-cyanophenyl)urea
PubChem CID83170863
Molecular FormulaC14H11BrN4O
Molecular Weight331.17 g/mol
Exact Mass330.01
IUPAC Name1-(5-bromo-3-methyl-2-pyridinyl)-3-(3-cyanophenyl)urea
SMILESCc1cc(Br)cnc1NC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C14H11BrN4O/c1-9-5-11(15)8-17-13(9)19-14(20)18-12-4-2-3-10(6-12)7-16/h2-6,8H,1H3,(H2,17,18,19,20)
InChIKeyMMFPZOJOKPACSD-UHFFFAOYSA-N
XLogP3.67
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(3-cyanophenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 62165850
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CID 11101346
1-(3-cyanophenyl)-3-pyridin-4-ylurea
CID 110706525
1-(2-bromo-4-methylphenyl)-3-(3-cyanophenyl)urea
CID 43132948
1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-(3-cyanophenyl)urea
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1-(2-amino-4-bromophenyl)-3-(3-cyanophenyl)urea
CID 43132937
1-(4-chlorophenyl)-3-(3-cyanophenyl)urea
CID 721971
1-(3-cyanophenyl)-3-(3-oxobutan-2-yl)urea
CID 64993876
1-(3-cyanophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 54344959
1-(3-cyanophenyl)-3-[3-(methylaminomethyl)phenyl]urea
CID 43602485
3-bromo-N-(3-cyanophenyl)-5-methylbenzamide
CID 113460579
3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-fluorobenzamide
CID 106547581

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyl-2-pyridinyl)-3-(3-cyanophenyl)urea?
The IUPAC name of 1-(5-bromo-3-methyl-2-pyridinyl)-3-(3-cyanophenyl)urea (CID 83170863) is 1-(5-bromo-3-methyl-2-pyridinyl)-3-(3-cyanophenyl)urea.
What is the SMILES notation for 1-(5-bromo-3-methyl-2-pyridinyl)-3-(3-cyanophenyl)urea?
The canonical SMILES for 1-(5-bromo-3-methyl-2-pyridinyl)-3-(3-cyanophenyl)urea is Cc1cc(Br)cnc1NC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of 1-(5-bromo-3-methyl-2-pyridinyl)-3-(3-cyanophenyl)urea?
The InChIKey is MMFPZOJOKPACSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O/c1-9-5-11(15)8-17-13(9)19-14(20)18-12-4-2-3-10(6-12)7-16/h2-6,8H,1H3,(H2,17,18,19,20).
What are the key properties of 1-(5-bromo-3-methyl-2-pyridinyl)-3-(3-cyanophenyl)urea?
1-(5-bromo-3-methyl-2-pyridinyl)-3-(3-cyanophenyl)urea has a molecular weight of 331.17 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 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-cyanophenyl)urea is sourced from PubChem (CID 83170863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).