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

C13H16N4O — CID 110472699

IUPAC1-(3-cyano-2-pyridinyl)-3-cyclohexylurea
SMILESN#Cc1cccnc1NC(=O)NC1CCCCC1
InChIInChI=1S/C13H16N4O/c14-9-10-5-4-8-15-12(10)17-13(18)16-11-6-2-1-3-7-11/h4-5,8,11H,1-3,6-7H2,(H2,15,16,17,18)
InChIKeyLQWJWXMDIXHSDK-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.41
Rot. Bonds2

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

1-(3-cyano-2-pyridinyl)-3-cyclohexylurea (PubChem CID 110472699) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-(3-cyano-2-pyridinyl)-3-cyclohexylurea.

Molecular Properties

Compound Name1-(3-cyano-2-pyridinyl)-3-cyclohexylurea
PubChem CID110472699
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-(3-cyano-2-pyridinyl)-3-cyclohexylurea
SMILESN#Cc1cccnc1NC(=O)NC1CCCCC1
InChIInChI=1S/C13H16N4O/c14-9-10-5-4-8-15-12(10)17-13(18)16-11-6-2-1-3-7-11/h4-5,8,11H,1-3,6-7H2,(H2,15,16,17,18)
InChIKeyLQWJWXMDIXHSDK-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

1-(3-cyano-2-pyridinyl)-3-phenylurea
CID 110472230
2-chloro-N-[(3-cyano-2-pyridinyl)carbamoyl]acetamide
CID 175502702
1-(4-chlorophenyl)-3-(3-cyano-2-pyridinyl)urea
CID 110473501
1-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-cyclopentylpyrazol-3-yl)urea
CID 118793902
1-[4-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-4-oxobutyl]-3-cyclohexylurea
CID 55513437
3-[(3-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 66030778
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-cyclopentylpropanamide
CID 134031843
1-(5-cyano-2-pyridinyl)-3-cyclohexylurea
CID 55063233
2-[(1-oxothian-4-yl)amino]pyridine-3-carbonitrile
CID 115886619
N-(3-cyano-2-pyridinyl)-2-(methylamino)acetamide
CID 110470457
1-[(3-cyano-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 61289720
1-cyclohexyl-3-[6-(cyclohexylcarbamoylamino)-2-pyridinyl]urea
CID 4149033

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyano-2-pyridinyl)-3-cyclohexylurea?
The IUPAC name of 1-(3-cyano-2-pyridinyl)-3-cyclohexylurea (CID 110472699) is 1-(3-cyano-2-pyridinyl)-3-cyclohexylurea.
What is the SMILES notation for 1-(3-cyano-2-pyridinyl)-3-cyclohexylurea?
The canonical SMILES for 1-(3-cyano-2-pyridinyl)-3-cyclohexylurea is N#Cc1cccnc1NC(=O)NC1CCCCC1.
What is the InChIKey of 1-(3-cyano-2-pyridinyl)-3-cyclohexylurea?
The InChIKey is LQWJWXMDIXHSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-9-10-5-4-8-15-12(10)17-13(18)16-11-6-2-1-3-7-11/h4-5,8,11H,1-3,6-7H2,(H2,15,16,17,18).
What are the key properties of 1-(3-cyano-2-pyridinyl)-3-cyclohexylurea?
1-(3-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-(3-cyano-2-pyridinyl)-3-cyclohexylurea is sourced from PubChem (CID 110472699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).