1-(3-cyanophenyl)-1-(2-cyclohexylethyl)-3-pyridin-3-ylurea

C21H24N4O — CID 154706334

IUPAC1-(3-cyanophenyl)-1-(2-cyclohexylethyl)-3-pyridin-3-ylurea
SMILESN#Cc1cccc(N(CCC2CCCCC2)C(=O)Nc2cccnc2)c1
InChIInChI=1S/C21H24N4O/c22-15-18-8-4-10-20(14-18)25(13-11-17-6-2-1-3-7-17)21(26)24-19-9-5-12-23-16-19/h4-5,8-10,12,14,16-17H,1-3,6-7,11,13H2,(H,24,26)
InChIKeyGAWPZLPCNSIOLU-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.96
Rot. Bonds5

About 1-(3-cyanophenyl)-1-(2-cyclohexylethyl)-3-pyridin-3-ylurea

1-(3-cyanophenyl)-1-(2-cyclohexylethyl)-3-pyridin-3-ylurea (PubChem CID 154706334) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-1-(2-cyclohexylethyl)-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-(3-cyanophenyl)-1-(2-cyclohexylethyl)-3-pyridin-3-ylurea
PubChem CID154706334
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name1-(3-cyanophenyl)-1-(2-cyclohexylethyl)-3-pyridin-3-ylurea
SMILESN#Cc1cccc(N(CCC2CCCCC2)C(=O)Nc2cccnc2)c1
InChIInChI=1S/C21H24N4O/c22-15-18-8-4-10-20(14-18)25(13-11-17-6-2-1-3-7-17)21(26)24-19-9-5-12-23-16-19/h4-5,8-10,12,14,16-17H,1-3,6-7,11,13H2,(H,24,26)
InChIKeyGAWPZLPCNSIOLU-UHFFFAOYSA-N
XLogP4.96
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-1-(2-cyclohexylethyl)-3-pyridin-3-ylurea?
The IUPAC name of 1-(3-cyanophenyl)-1-(2-cyclohexylethyl)-3-pyridin-3-ylurea (CID 154706334) is 1-(3-cyanophenyl)-1-(2-cyclohexylethyl)-3-pyridin-3-ylurea.
What is the SMILES notation for 1-(3-cyanophenyl)-1-(2-cyclohexylethyl)-3-pyridin-3-ylurea?
The canonical SMILES for 1-(3-cyanophenyl)-1-(2-cyclohexylethyl)-3-pyridin-3-ylurea is N#Cc1cccc(N(CCC2CCCCC2)C(=O)Nc2cccnc2)c1.
What is the InChIKey of 1-(3-cyanophenyl)-1-(2-cyclohexylethyl)-3-pyridin-3-ylurea?
The InChIKey is GAWPZLPCNSIOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c22-15-18-8-4-10-20(14-18)25(13-11-17-6-2-1-3-7-17)21(26)24-19-9-5-12-23-16-19/h4-5,8-10,12,14,16-17H,1-3,6-7,11,13H2,(H,24,26).
What are the key properties of 1-(3-cyanophenyl)-1-(2-cyclohexylethyl)-3-pyridin-3-ylurea?
1-(3-cyanophenyl)-1-(2-cyclohexylethyl)-3-pyridin-3-ylurea has a molecular weight of 348.45 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-1-(2-cyclohexylethyl)-3-pyridin-3-ylurea is sourced from PubChem (CID 154706334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).