1-cyclohexyl-3-(4,6-dimethyl-2-pyridinyl)urea

C14H21N3O — CID 896735

IUPAC1-cyclohexyl-3-(4,6-dimethyl-2-pyridinyl)urea
SMILESCc1cc(C)nc(NC(=O)NC2CCCCC2)c1
InChIInChI=1S/C14H21N3O/c1-10-8-11(2)15-13(9-10)17-14(18)16-12-6-4-3-5-7-12/h8-9,12H,3-7H2,1-2H3,(H2,15,16,17,18)
InChIKeyXOQLXGWEPFUJRD-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.15
Rot. Bonds2

About 1-cyclohexyl-3-(4,6-dimethyl-2-pyridinyl)urea

1-cyclohexyl-3-(4,6-dimethyl-2-pyridinyl)urea (PubChem CID 896735) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-cyclohexyl-3-(4,6-dimethyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(4,6-dimethyl-2-pyridinyl)urea
PubChem CID896735
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-cyclohexyl-3-(4,6-dimethyl-2-pyridinyl)urea
SMILESCc1cc(C)nc(NC(=O)NC2CCCCC2)c1
InChIInChI=1S/C14H21N3O/c1-10-8-11(2)15-13(9-10)17-14(18)16-12-6-4-3-5-7-12/h8-9,12H,3-7H2,1-2H3,(H2,15,16,17,18)
InChIKeyXOQLXGWEPFUJRD-UHFFFAOYSA-N
XLogP3.15
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(4,6-dimethyl-2-pyridinyl)urea?
The IUPAC name of 1-cyclohexyl-3-(4,6-dimethyl-2-pyridinyl)urea (CID 896735) is 1-cyclohexyl-3-(4,6-dimethyl-2-pyridinyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(4,6-dimethyl-2-pyridinyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(4,6-dimethyl-2-pyridinyl)urea is Cc1cc(C)nc(NC(=O)NC2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-3-(4,6-dimethyl-2-pyridinyl)urea?
The InChIKey is XOQLXGWEPFUJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-8-11(2)15-13(9-10)17-14(18)16-12-6-4-3-5-7-12/h8-9,12H,3-7H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 1-cyclohexyl-3-(4,6-dimethyl-2-pyridinyl)urea?
1-cyclohexyl-3-(4,6-dimethyl-2-pyridinyl)urea has a molecular weight of 247.34 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(4,6-dimethyl-2-pyridinyl)urea is sourced from PubChem (CID 896735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).