1-(3,5-dihydroxyphenyl)-3-(5-methyl-2-pyridinyl)urea

C13H13N3O3 — CID 108895651

IUPAC1-(3,5-dihydroxyphenyl)-3-(5-methyl-2-pyridinyl)urea
SMILESCc1ccc(NC(=O)Nc2cc(O)cc(O)c2)nc1
InChIInChI=1S/C13H13N3O3/c1-8-2-3-12(14-7-8)16-13(19)15-9-4-10(17)6-11(18)5-9/h2-7,17-18H,1H3,(H2,14,15,16,19)
InChIKeyGUSMQUHSEZLCHC-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.45
Rot. Bonds2

About 1-(3,5-dihydroxyphenyl)-3-(5-methyl-2-pyridinyl)urea

1-(3,5-dihydroxyphenyl)-3-(5-methyl-2-pyridinyl)urea (PubChem CID 108895651) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 1-(3,5-dihydroxyphenyl)-3-(5-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(3,5-dihydroxyphenyl)-3-(5-methyl-2-pyridinyl)urea
PubChem CID108895651
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Name1-(3,5-dihydroxyphenyl)-3-(5-methyl-2-pyridinyl)urea
SMILESCc1ccc(NC(=O)Nc2cc(O)cc(O)c2)nc1
InChIInChI=1S/C13H13N3O3/c1-8-2-3-12(14-7-8)16-13(19)15-9-4-10(17)6-11(18)5-9/h2-7,17-18H,1H3,(H2,14,15,16,19)
InChIKeyGUSMQUHSEZLCHC-UHFFFAOYSA-N
XLogP2.45
TPSA94.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butylphenyl)-3-(5-methyl-2-pyridinyl)urea
CID 108884929
1-[3-(1-hydroxyethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea
CID 61346275
1-(3H-benzimidazol-5-yl)-3-(5-methyl-2-pyridinyl)urea
CID 108886074
[3-[(5-methyl-2-pyridinyl)carbamoylamino]phenyl] acetate
CID 108865397
1-(5-methyl-2-pyridinyl)-3-(3-nitrophenyl)urea
CID 971660
1-(3,5-dihydroxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108895478
1-(5-methyl-1H-pyrazol-4-yl)-3-(5-methyl-2-pyridinyl)urea
CID 166404732
2-(2,4-dimethylphenoxy)-N-(5-methyl-2-pyridinyl)acetamide
CID 837547
N'-(5-methyl-2-pyridinyl)oxamide
CID 23087857
N-(5-methyl-2-pyridinyl)-2-sulfanylacetamide
CID 83773687
1-(3,5-dihydroxyphenyl)-3-(3,4-dimethylphenyl)urea
CID 108895471
1-(3-fluoro-2-pyridinyl)-3-(5-methyl-2-pyridinyl)urea
CID 18682339

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dihydroxyphenyl)-3-(5-methyl-2-pyridinyl)urea?
The IUPAC name of 1-(3,5-dihydroxyphenyl)-3-(5-methyl-2-pyridinyl)urea (CID 108895651) is 1-(3,5-dihydroxyphenyl)-3-(5-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(3,5-dihydroxyphenyl)-3-(5-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-(3,5-dihydroxyphenyl)-3-(5-methyl-2-pyridinyl)urea is Cc1ccc(NC(=O)Nc2cc(O)cc(O)c2)nc1.
What is the InChIKey of 1-(3,5-dihydroxyphenyl)-3-(5-methyl-2-pyridinyl)urea?
The InChIKey is GUSMQUHSEZLCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-8-2-3-12(14-7-8)16-13(19)15-9-4-10(17)6-11(18)5-9/h2-7,17-18H,1H3,(H2,14,15,16,19).
What are the key properties of 1-(3,5-dihydroxyphenyl)-3-(5-methyl-2-pyridinyl)urea?
1-(3,5-dihydroxyphenyl)-3-(5-methyl-2-pyridinyl)urea has a molecular weight of 259.27 g/mol, XLogP of 2.45, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dihydroxyphenyl)-3-(5-methyl-2-pyridinyl)urea is sourced from PubChem (CID 108895651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).