1-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)urea

C14H15N3O — CID 790700

IUPAC1-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)urea
SMILESCc1ccc(NC(=O)Nc2ncccc2C)cc1
InChIInChI=1S/C14H15N3O/c1-10-5-7-12(8-6-10)16-14(18)17-13-11(2)4-3-9-15-13/h3-9H,1-2H3,(H2,15,16,17,18)
InChIKeyQDRHCICBCNASFS-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.34
Rot. Bonds2

About 1-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)urea

1-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)urea (PubChem CID 790700) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)urea
PubChem CID790700
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)urea
SMILESCc1ccc(NC(=O)Nc2ncccc2C)cc1
InChIInChI=1S/C14H15N3O/c1-10-5-7-12(8-6-10)16-14(18)17-13-11(2)4-3-9-15-13/h3-9H,1-2H3,(H2,15,16,17,18)
InChIKeyQDRHCICBCNASFS-UHFFFAOYSA-N
XLogP3.34
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)urea?
The IUPAC name of 1-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)urea (CID 790700) is 1-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)urea is Cc1ccc(NC(=O)Nc2ncccc2C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)urea?
The InChIKey is QDRHCICBCNASFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10-5-7-12(8-6-10)16-14(18)17-13-11(2)4-3-9-15-13/h3-9H,1-2H3,(H2,15,16,17,18).
What are the key properties of 1-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)urea?
1-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)urea has a molecular weight of 241.29 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)urea is sourced from PubChem (CID 790700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).