1-[2-(3-methylphenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea

C16H19N3O — CID 108900857

IUPAC1-[2-(3-methylphenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea
SMILESCc1ccc(NC(=O)NCCc2cccc(C)c2)nc1
InChIInChI=1S/C16H19N3O/c1-12-4-3-5-14(10-12)8-9-17-16(20)19-15-7-6-13(2)11-18-15/h3-7,10-11H,8-9H2,1-2H3,(H2,17,18,19,20)
InChIKeyZDDKQKUXRUAGAB-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.06
Rot. Bonds4

About 1-[2-(3-methylphenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea

1-[2-(3-methylphenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea (PubChem CID 108900857) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-[2-(3-methylphenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[2-(3-methylphenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea
PubChem CID108900857
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-[2-(3-methylphenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea
SMILESCc1ccc(NC(=O)NCCc2cccc(C)c2)nc1
InChIInChI=1S/C16H19N3O/c1-12-4-3-5-14(10-12)8-9-17-16(20)19-15-7-6-13(2)11-18-15/h3-7,10-11H,8-9H2,1-2H3,(H2,17,18,19,20)
InChIKeyZDDKQKUXRUAGAB-UHFFFAOYSA-N
XLogP3.06
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(dimethylamino)-2-pyridinyl]-3-[2-(3-methylphenyl)ethyl]urea
CID 75477406
1-[2-(3-methylphenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea
CID 108900770
1-(4-chloro-2-pyridinyl)-3-[2-(3-methylphenyl)ethyl]urea
CID 108900861
N'-(5-methyl-2-pyridinyl)-N-(2-phenylethyl)oxamide
CID 44997210
1-[2-(2-fluorophenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea
CID 108900165
1-[2-(3-methylphenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812821
1-(2-methoxyethyl)-3-(5-methyl-2-pyridinyl)urea
CID 84600557
1-[(2,4-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea
CID 108870890
1-[2-(3-methylphenyl)ethyl]-3-(3,4,5-trihydroxyphenyl)urea
CID 108871999
1-hexyl-3-(5-methyl-2-pyridinyl)urea
CID 158285971
1-(4-anilinophenyl)-3-[2-(3-methylphenyl)ethyl]urea
CID 108900768
1-[(3-methylphenyl)methyl]-3-(4-methyl-2-pyridinyl)urea
CID 108898245

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylphenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea?
The IUPAC name of 1-[2-(3-methylphenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea (CID 108900857) is 1-[2-(3-methylphenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-[2-(3-methylphenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-[2-(3-methylphenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea is Cc1ccc(NC(=O)NCCc2cccc(C)c2)nc1.
What is the InChIKey of 1-[2-(3-methylphenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea?
The InChIKey is ZDDKQKUXRUAGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-4-3-5-14(10-12)8-9-17-16(20)19-15-7-6-13(2)11-18-15/h3-7,10-11H,8-9H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 1-[2-(3-methylphenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea?
1-[2-(3-methylphenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea has a molecular weight of 269.35 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylphenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea is sourced from PubChem (CID 108900857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).