1-cyclohexyl-3-[2-(dimethylamino)-2-pyridin-3-ylethyl]urea

C16H26N4O — CID 3237480

IUPAC1-cyclohexyl-3-[2-(dimethylamino)-2-pyridin-3-ylethyl]urea
SMILESCN(C)C(CNC(=O)NC1CCCCC1)c1cccnc1
InChIInChI=1S/C16H26N4O/c1-20(2)15(13-7-6-10-17-11-13)12-18-16(21)19-14-8-4-3-5-9-14/h6-7,10-11,14-15H,3-5,8-9,12H2,1-2H3,(H2,18,19,21)
InChIKeyRWFNFUMUAWTATD-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.32
Rot. Bonds5

About 1-cyclohexyl-3-[2-(dimethylamino)-2-pyridin-3-ylethyl]urea

1-cyclohexyl-3-[2-(dimethylamino)-2-pyridin-3-ylethyl]urea (PubChem CID 3237480) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(dimethylamino)-2-pyridin-3-ylethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(dimethylamino)-2-pyridin-3-ylethyl]urea
PubChem CID3237480
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-cyclohexyl-3-[2-(dimethylamino)-2-pyridin-3-ylethyl]urea
SMILESCN(C)C(CNC(=O)NC1CCCCC1)c1cccnc1
InChIInChI=1S/C16H26N4O/c1-20(2)15(13-7-6-10-17-11-13)12-18-16(21)19-14-8-4-3-5-9-14/h6-7,10-11,14-15H,3-5,8-9,12H2,1-2H3,(H2,18,19,21)
InChIKeyRWFNFUMUAWTATD-UHFFFAOYSA-N
XLogP2.32
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(dimethylamino)-2-pyridin-3-ylethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(dimethylamino)-2-pyridin-3-ylethyl]urea (CID 3237480) is 1-cyclohexyl-3-[2-(dimethylamino)-2-pyridin-3-ylethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(dimethylamino)-2-pyridin-3-ylethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(dimethylamino)-2-pyridin-3-ylethyl]urea is CN(C)C(CNC(=O)NC1CCCCC1)c1cccnc1.
What is the InChIKey of 1-cyclohexyl-3-[2-(dimethylamino)-2-pyridin-3-ylethyl]urea?
The InChIKey is RWFNFUMUAWTATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-20(2)15(13-7-6-10-17-11-13)12-18-16(21)19-14-8-4-3-5-9-14/h6-7,10-11,14-15H,3-5,8-9,12H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-cyclohexyl-3-[2-(dimethylamino)-2-pyridin-3-ylethyl]urea?
1-cyclohexyl-3-[2-(dimethylamino)-2-pyridin-3-ylethyl]urea has a molecular weight of 290.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(dimethylamino)-2-pyridin-3-ylethyl]urea is sourced from PubChem (CID 3237480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).