1-cyclohexa-1,3-dien-1-yl-3-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)urea

C15H19N3O2 — CID 130245583

IUPAC1-cyclohexa-1,3-dien-1-yl-3-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)urea
SMILESCc1nc(NC(=O)NC2=CC=CCC2)c(C)c(C)c1O
InChIInChI=1S/C15H19N3O2/c1-9-10(2)14(16-11(3)13(9)19)18-15(20)17-12-7-5-4-6-8-12/h4-5,7,19H,6,8H2,1-3H3,(H2,16,17,18,20)
InChIKeyMWPWZUFGDAEXIS-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.07
Rot. Bonds2

About 1-cyclohexa-1,3-dien-1-yl-3-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)urea

1-cyclohexa-1,3-dien-1-yl-3-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)urea (PubChem CID 130245583) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-yl-3-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-yl-3-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)urea
PubChem CID130245583
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-cyclohexa-1,3-dien-1-yl-3-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)urea
SMILESCc1nc(NC(=O)NC2=CC=CCC2)c(C)c(C)c1O
InChIInChI=1S/C15H19N3O2/c1-9-10(2)14(16-11(3)13(9)19)18-15(20)17-12-7-5-4-6-8-12/h4-5,7,19H,6,8H2,1-3H3,(H2,16,17,18,20)
InChIKeyMWPWZUFGDAEXIS-UHFFFAOYSA-N
XLogP3.07
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexa-1,3-dien-1-yl-3-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4,5-Trimethyl-6-(4-propylanilino)pyridin-3-ol
CID 124107079
6-Amino-2-(10-hydroxydecyl)-4-methylpyridin-3-ol
CID 66553675
6-hydroxy-5,7-dimethyl-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one
CID 72164894
N-(5-hydroxy-3,4,6-trimethylpyridine-2-yl)acetamide
CID 86271984
N-(5-hydroxy-3,4,6-trimethylpyridine-2-yl)-3-phenylpropanamide
CID 86304263
6-(Dimethylamino)-2,4-dimethylpyridin-3-ol
CID 10909926
6-Amino-2,4,5-trimethylpyridin-3-ol
CID 71622385
6-(Hexylamino)-2,4,5-trimethylpyridin-3-ol
CID 71622386
6-(Hexadecylamino)-2,4,5-trimethylpyridin-3-ol
CID 71622513
6-(3-Hydroxypropylamino)-2,4,5-trimethylpyridin-3-ol
CID 71622514
6-(Cyclohexylamino)-2,4,5-trimethylpyridin-3-ol
CID 71622516
6-(Benzylamino)-2,4,5-trimethylpyridin-3-ol
CID 71622517

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,3-dien-1-yl-3-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)urea?
The IUPAC name of 1-cyclohexa-1,3-dien-1-yl-3-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)urea (CID 130245583) is 1-cyclohexa-1,3-dien-1-yl-3-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)urea.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-yl-3-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)urea?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-yl-3-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)urea is Cc1nc(NC(=O)NC2=CC=CCC2)c(C)c(C)c1O.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-yl-3-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)urea?
The InChIKey is MWPWZUFGDAEXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-9-10(2)14(16-11(3)13(9)19)18-15(20)17-12-7-5-4-6-8-12/h4-5,7,19H,6,8H2,1-3H3,(H2,16,17,18,20).
What are the key properties of 1-cyclohexa-1,3-dien-1-yl-3-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)urea?
1-cyclohexa-1,3-dien-1-yl-3-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)urea has a molecular weight of 273.34 g/mol, XLogP of 3.07, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,3-dien-1-yl-3-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)urea is sourced from PubChem (CID 130245583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).