[4-[2-(2-methylphenyl)ethyl]-2-pyridinyl]urea

C15H17N3O — CID 56968080

IUPAC[4-[2-(2-methylphenyl)ethyl]-2-pyridinyl]urea
SMILESCc1ccccc1CCc1ccnc(NC(N)=O)c1
InChIInChI=1S/C15H17N3O/c1-11-4-2-3-5-13(11)7-6-12-8-9-17-14(10-12)18-15(16)19/h2-5,8-10H,6-7H2,1H3,(H3,16,17,18,19)
InChIKeyMOTDSKKJECQMDW-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.67
Rot. Bonds4

About [4-[2-(2-methylphenyl)ethyl]-2-pyridinyl]urea

[4-[2-(2-methylphenyl)ethyl]-2-pyridinyl]urea (PubChem CID 56968080) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is [4-[2-(2-methylphenyl)ethyl]-2-pyridinyl]urea.

Molecular Properties

Compound Name[4-[2-(2-methylphenyl)ethyl]-2-pyridinyl]urea
PubChem CID56968080
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name[4-[2-(2-methylphenyl)ethyl]-2-pyridinyl]urea
SMILESCc1ccccc1CCc1ccnc(NC(N)=O)c1
InChIInChI=1S/C15H17N3O/c1-11-4-2-3-5-13(11)7-6-12-8-9-17-14(10-12)18-15(16)19/h2-5,8-10H,6-7H2,1H3,(H3,16,17,18,19)
InChIKeyMOTDSKKJECQMDW-UHFFFAOYSA-N
XLogP2.67
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-methylphenyl)ethyl]-2-pyridinyl]urea?
The IUPAC name of [4-[2-(2-methylphenyl)ethyl]-2-pyridinyl]urea (CID 56968080) is [4-[2-(2-methylphenyl)ethyl]-2-pyridinyl]urea.
What is the SMILES notation for [4-[2-(2-methylphenyl)ethyl]-2-pyridinyl]urea?
The canonical SMILES for [4-[2-(2-methylphenyl)ethyl]-2-pyridinyl]urea is Cc1ccccc1CCc1ccnc(NC(N)=O)c1.
What is the InChIKey of [4-[2-(2-methylphenyl)ethyl]-2-pyridinyl]urea?
The InChIKey is MOTDSKKJECQMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11-4-2-3-5-13(11)7-6-12-8-9-17-14(10-12)18-15(16)19/h2-5,8-10H,6-7H2,1H3,(H3,16,17,18,19).
What are the key properties of [4-[2-(2-methylphenyl)ethyl]-2-pyridinyl]urea?
[4-[2-(2-methylphenyl)ethyl]-2-pyridinyl]urea has a molecular weight of 255.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-methylphenyl)ethyl]-2-pyridinyl]urea is sourced from PubChem (CID 56968080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).