1-(3-methylphenyl)-3-(6-methyl-2-pyridinyl)urea

C14H15N3O — CID 6468393

IUPAC1-(3-methylphenyl)-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)Nc2cccc(C)n2)c1
InChIInChI=1S/C14H15N3O/c1-10-5-3-7-12(9-10)16-14(18)17-13-8-4-6-11(2)15-13/h3-9H,1-2H3,(H2,15,16,17,18)
InChIKeyDHRWIUASRIYWKI-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.34
Rot. Bonds2

About 1-(3-methylphenyl)-3-(6-methyl-2-pyridinyl)urea

1-(3-methylphenyl)-3-(6-methyl-2-pyridinyl)urea (PubChem CID 6468393) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-(6-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-(6-methyl-2-pyridinyl)urea
PubChem CID6468393
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-(3-methylphenyl)-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)Nc2cccc(C)n2)c1
InChIInChI=1S/C14H15N3O/c1-10-5-3-7-12(9-10)16-14(18)17-13-8-4-6-11(2)15-13/h3-9H,1-2H3,(H2,15,16,17,18)
InChIKeyDHRWIUASRIYWKI-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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Related Compounds

1-[3-(1-aminoethyl)phenyl]-3-(6-methyl-2-pyridinyl)urea
CID 61339473
1-(3-methylphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea
CID 55262140
1-(6-methyl-2-pyridinyl)-3-pyridin-3-ylurea
CID 10561311
1-(3-methylphenyl)-3-(1,2-oxazol-3-yl)urea
CID 108811855
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
3-methyl-N-(6-methyl-2-pyridinyl)benzamide
CID 966005
1-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)urea
CID 6465275
1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea
CID 1239967
ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 144571774
1-[2-(3-methylphenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea
CID 108900770
1-hydroxy-3-(3-methylphenyl)urea
CID 10034960
1-(5-bromo-4-methyl-2-pyridinyl)-3-(3-methylphenyl)urea
CID 79729955

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-(6-methyl-2-pyridinyl)urea?
The IUPAC name of 1-(3-methylphenyl)-3-(6-methyl-2-pyridinyl)urea (CID 6468393) is 1-(3-methylphenyl)-3-(6-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(3-methylphenyl)-3-(6-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-(3-methylphenyl)-3-(6-methyl-2-pyridinyl)urea is Cc1cccc(NC(=O)Nc2cccc(C)n2)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-(6-methyl-2-pyridinyl)urea?
The InChIKey is DHRWIUASRIYWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10-5-3-7-12(9-10)16-14(18)17-13-8-4-6-11(2)15-13/h3-9H,1-2H3,(H2,15,16,17,18).
What are the key properties of 1-(3-methylphenyl)-3-(6-methyl-2-pyridinyl)urea?
1-(3-methylphenyl)-3-(6-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-(3-methylphenyl)-3-(6-methyl-2-pyridinyl)urea is sourced from PubChem (CID 6468393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).