1-(5-cyano-2-pyridinyl)-3-cyclohexylurea

C13H16N4O — CID 55063233

IUPAC1-(5-cyano-2-pyridinyl)-3-cyclohexylurea
SMILESN#Cc1ccc(NC(=O)NC2CCCCC2)nc1
InChIInChI=1S/C13H16N4O/c14-8-10-6-7-12(15-9-10)17-13(18)16-11-4-2-1-3-5-11/h6-7,9,11H,1-5H2,(H2,15,16,17,18)
InChIKeyJBJLBJOBALARMI-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.41
Rot. Bonds2

About 1-(5-cyano-2-pyridinyl)-3-cyclohexylurea

1-(5-cyano-2-pyridinyl)-3-cyclohexylurea (PubChem CID 55063233) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-(5-cyano-2-pyridinyl)-3-cyclohexylurea.

Molecular Properties

Compound Name1-(5-cyano-2-pyridinyl)-3-cyclohexylurea
PubChem CID55063233
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-(5-cyano-2-pyridinyl)-3-cyclohexylurea
SMILESN#Cc1ccc(NC(=O)NC2CCCCC2)nc1
InChIInChI=1S/C13H16N4O/c14-8-10-6-7-12(15-9-10)17-13(18)16-11-4-2-1-3-5-11/h6-7,9,11H,1-5H2,(H2,15,16,17,18)
InChIKeyJBJLBJOBALARMI-UHFFFAOYSA-N
XLogP2.41
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-cyano-2-pyridinyl)azocane-1-carboxamide
CID 126839121
1-[(1aS,7bS)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-3-(5-cyano-2-pyridinyl)urea
CID 21356030
N-(5-cyano-2-pyridinyl)-1-methylcyclohexane-1-carboxamide
CID 102609120
N-(5-cyano-2-pyridinyl)cyclohex-3-ene-1-carboxamide
CID 56826266
1-[(1aS,6aS)-4-cyano-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-3-(5-cyano-2-pyridinyl)urea
CID 21356027
1-cyclohexyl-3-[6-(cyclopropylamino)-3-pyridinyl]urea
CID 113009249
1-[6-(cycloheptylamino)-3-pyridinyl]-3-cyclopropylurea
CID 113014951
1-cyclohexyl-3-[6-(cyclohexylcarbamoylamino)-2-pyridinyl]urea
CID 4149033
1-cyclohexyl-3-[5-(prop-2-enylamino)-2-pyridinyl]urea
CID 113023884
6-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile
CID 24704980
6-(cyclopropylcarbamoylamino)pyridine-3-carboxylic acid
CID 62697960
2-[(5-cyano-2-pyridinyl)amino]cyclohexane-1-carboxamide
CID 133365711

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-pyridinyl)-3-cyclohexylurea?
The IUPAC name of 1-(5-cyano-2-pyridinyl)-3-cyclohexylurea (CID 55063233) is 1-(5-cyano-2-pyridinyl)-3-cyclohexylurea.
What is the SMILES notation for 1-(5-cyano-2-pyridinyl)-3-cyclohexylurea?
The canonical SMILES for 1-(5-cyano-2-pyridinyl)-3-cyclohexylurea is N#Cc1ccc(NC(=O)NC2CCCCC2)nc1.
What is the InChIKey of 1-(5-cyano-2-pyridinyl)-3-cyclohexylurea?
The InChIKey is JBJLBJOBALARMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-8-10-6-7-12(15-9-10)17-13(18)16-11-4-2-1-3-5-11/h6-7,9,11H,1-5H2,(H2,15,16,17,18).
What are the key properties of 1-(5-cyano-2-pyridinyl)-3-cyclohexylurea?
1-(5-cyano-2-pyridinyl)-3-cyclohexylurea has a molecular weight of 244.30 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-2-pyridinyl)-3-cyclohexylurea is sourced from PubChem (CID 55063233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).