6-[1-(7-bicyclo[4.1.0]heptanylsulfonyl)piperidin-4-yl]pyridine-3-carbonitrile

C18H23N3O2S — CID 155956863

IUPAC6-[1-(7-bicyclo[4.1.0]heptanylsulfonyl)piperidin-4-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(C2CCN(S(=O)(=O)C3C4CCCCC43)CC2)nc1
InChIInChI=1S/C18H23N3O2S/c19-11-13-5-6-17(20-12-13)14-7-9-21(10-8-14)24(22,23)18-15-3-1-2-4-16(15)18/h5-6,12,14-16,18H,1-4,7-10H2
InChIKeyMDWUKCVQWVVMRV-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.65
Rot. Bonds3

About 6-[1-(7-bicyclo[4.1.0]heptanylsulfonyl)piperidin-4-yl]pyridine-3-carbonitrile

6-[1-(7-bicyclo[4.1.0]heptanylsulfonyl)piperidin-4-yl]pyridine-3-carbonitrile (PubChem CID 155956863) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 6-[1-(7-bicyclo[4.1.0]heptanylsulfonyl)piperidin-4-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-(7-bicyclo[4.1.0]heptanylsulfonyl)piperidin-4-yl]pyridine-3-carbonitrile
PubChem CID155956863
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name6-[1-(7-bicyclo[4.1.0]heptanylsulfonyl)piperidin-4-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(C2CCN(S(=O)(=O)C3C4CCCCC43)CC2)nc1
InChIInChI=1S/C18H23N3O2S/c19-11-13-5-6-17(20-12-13)14-7-9-21(10-8-14)24(22,23)18-15-3-1-2-4-16(15)18/h5-6,12,14-16,18H,1-4,7-10H2
InChIKeyMDWUKCVQWVVMRV-UHFFFAOYSA-N
XLogP2.65
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[1-(7-bicyclo[4.1.0]heptanylsulfonyl)piperidin-4-yl]pyridine-3-carbonitrile with MolForge

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Related Compounds

6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile
CID 115022328
6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]pyridine-3-carbonitrile
CID 154768832
6-(4-methylidenecyclohexyl)pyridine-3-carbonitrile
CID 90890322
6-[4-(5-chloro-2-pyridinyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 136574445
6-(1-methylpyrrolidin-2-yl)pyridine-3-carbonitrile
CID 115017325
6-(3,3-difluorocycloheptyl)pyridine-3-carbonitrile
CID 167959161
6-[4-(4-butylcyclohexyl)cyclohexyl]pyridine-3-carbonitrile
CID 139631047
1-[5-[4-(5-cyano-2-pyridinyl)piperidine-1-carbonyl]-2-methylphenyl]-3-cyclopentylurea
CID 70872700
6-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]amino]pyridine-3-carbonitrile
CID 133311673
6-imidazolidin-2-ylpyridine-3-carbonitrile
CID 70037245
6-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile
CID 62662719
1,3-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-5-carbonitrile
CID 170925735

Frequently Asked Questions

What is the IUPAC name of 6-[1-(7-bicyclo[4.1.0]heptanylsulfonyl)piperidin-4-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[1-(7-bicyclo[4.1.0]heptanylsulfonyl)piperidin-4-yl]pyridine-3-carbonitrile (CID 155956863) is 6-[1-(7-bicyclo[4.1.0]heptanylsulfonyl)piperidin-4-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-(7-bicyclo[4.1.0]heptanylsulfonyl)piperidin-4-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[1-(7-bicyclo[4.1.0]heptanylsulfonyl)piperidin-4-yl]pyridine-3-carbonitrile is N#Cc1ccc(C2CCN(S(=O)(=O)C3C4CCCCC43)CC2)nc1.
What is the InChIKey of 6-[1-(7-bicyclo[4.1.0]heptanylsulfonyl)piperidin-4-yl]pyridine-3-carbonitrile?
The InChIKey is MDWUKCVQWVVMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c19-11-13-5-6-17(20-12-13)14-7-9-21(10-8-14)24(22,23)18-15-3-1-2-4-16(15)18/h5-6,12,14-16,18H,1-4,7-10H2.
What are the key properties of 6-[1-(7-bicyclo[4.1.0]heptanylsulfonyl)piperidin-4-yl]pyridine-3-carbonitrile?
6-[1-(7-bicyclo[4.1.0]heptanylsulfonyl)piperidin-4-yl]pyridine-3-carbonitrile has a molecular weight of 345.47 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(7-bicyclo[4.1.0]heptanylsulfonyl)piperidin-4-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 155956863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).