1-cyclohexyl-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea

C20H25N3O2 — CID 1450086

IUPAC1-cyclohexyl-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea
SMILESCc1ccc(Cn2cccc(NC(=O)NC3CCCCC3)c2=O)cc1
InChIInChI=1S/C20H25N3O2/c1-15-9-11-16(12-10-15)14-23-13-5-8-18(19(23)24)22-20(25)21-17-6-3-2-4-7-17/h5,8-13,17H,2-4,6-7,14H2,1H3,(H2,21,22,25)
InChIKeyIIIZCWOSMAORTQ-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.66
Rot. Bonds4

About 1-cyclohexyl-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea

1-cyclohexyl-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea (PubChem CID 1450086) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-cyclohexyl-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea
PubChem CID1450086
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-cyclohexyl-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea
SMILESCc1ccc(Cn2cccc(NC(=O)NC3CCCCC3)c2=O)cc1
InChIInChI=1S/C20H25N3O2/c1-15-9-11-16(12-10-15)14-23-13-5-8-18(19(23)24)22-20(25)21-17-6-3-2-4-7-17/h5,8-13,17H,2-4,6-7,14H2,1H3,(H2,21,22,25)
InChIKeyIIIZCWOSMAORTQ-UHFFFAOYSA-N
XLogP3.66
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea?
The IUPAC name of 1-cyclohexyl-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea (CID 1450086) is 1-cyclohexyl-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea is Cc1ccc(Cn2cccc(NC(=O)NC3CCCCC3)c2=O)cc1.
What is the InChIKey of 1-cyclohexyl-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea?
The InChIKey is IIIZCWOSMAORTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-9-11-16(12-10-15)14-23-13-5-8-18(19(23)24)22-20(25)21-17-6-3-2-4-7-17/h5,8-13,17H,2-4,6-7,14H2,1H3,(H2,21,22,25).
What are the key properties of 1-cyclohexyl-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea?
1-cyclohexyl-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea has a molecular weight of 339.44 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea is sourced from PubChem (CID 1450086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).