1-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(2,5-dimethylphenyl)urea

C16H19N3O2 — CID 167990779

IUPAC1-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(2,5-dimethylphenyl)urea
SMILESCc1ccc(C)c(NC(=O)Nc2cn(C)c(=O)cc2C)c1
InChIInChI=1S/C16H19N3O2/c1-10-5-6-11(2)13(7-10)17-16(21)18-14-9-19(4)15(20)8-12(14)3/h5-9H,1-4H3,(H2,17,18,21)
InChIKeyYSJGHUUYFFGAOT-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.95
Rot. Bonds2

About 1-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(2,5-dimethylphenyl)urea

1-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(2,5-dimethylphenyl)urea (PubChem CID 167990779) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(2,5-dimethylphenyl)urea.

Molecular Properties

Compound Name1-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(2,5-dimethylphenyl)urea
PubChem CID167990779
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(2,5-dimethylphenyl)urea
SMILESCc1ccc(C)c(NC(=O)Nc2cn(C)c(=O)cc2C)c1
InChIInChI=1S/C16H19N3O2/c1-10-5-6-11(2)13(7-10)17-16(21)18-14-9-19(4)15(20)8-12(14)3/h5-9H,1-4H3,(H2,17,18,21)
InChIKeyYSJGHUUYFFGAOT-UHFFFAOYSA-N
XLogP2.95
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(2,5-dimethylphenyl)urea?
The IUPAC name of 1-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(2,5-dimethylphenyl)urea (CID 167990779) is 1-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(2,5-dimethylphenyl)urea.
What is the SMILES notation for 1-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(2,5-dimethylphenyl)urea?
The canonical SMILES for 1-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(2,5-dimethylphenyl)urea is Cc1ccc(C)c(NC(=O)Nc2cn(C)c(=O)cc2C)c1.
What is the InChIKey of 1-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(2,5-dimethylphenyl)urea?
The InChIKey is YSJGHUUYFFGAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10-5-6-11(2)13(7-10)17-16(21)18-14-9-19(4)15(20)8-12(14)3/h5-9H,1-4H3,(H2,17,18,21).
What are the key properties of 1-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(2,5-dimethylphenyl)urea?
1-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(2,5-dimethylphenyl)urea has a molecular weight of 285.35 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(2,5-dimethylphenyl)urea is sourced from PubChem (CID 167990779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).