4-(4-butylsulfanyl-3-pyridinyl)naphthalene-1-carbonitrile;4-[4-[(1-ethylcyclopropyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclobutyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopentyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopropyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[[1-(2-oxopropyl)cyclopropyl]methylsulfanyl]-3-pyridinyl]benzonitrile

C127H116N12OS6 — CID 159937991

IUPAC4-(4-butylsulfanyl-3-pyridinyl)naphthalene-1-carbonitrile;4-[4-[(1-ethylcyclopropyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclobutyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopentyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopropyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[[1-(2-oxopropyl)cyclopropyl]methylsulfanyl]-3-pyridinyl]benzonitrile
SMILESCC(=O)CC1(CSc2ccncc2-c2ccc(C#N)cc2)CC1.CC1(CSc2ccncc2-c2ccc(C#N)c3ccccc23)CC1.CC1(CSc2ccncc2-c2ccc(C#N)c3ccccc23)CCC1.CC1(CSc2ccncc2-c2ccc(C#N)c3ccccc23)CCCC1.CCC1(CSc2ccncc2-c2ccc(C#N)c3ccccc23)CC1.CCCCSc1ccncc1-c1ccc(C#N)c2ccccc12
InChIInChI=1S/C23H22N2S.2C22H20N2S.C21H18N2S.C20H18N2S.C19H18N2OS/c1-23(11-4-5-12-23)16-26-22-10-13-25-15-21(22)20-9-8-17(14-24)18-6-2-3-7-19(18)20;1-22(10-4-11-22)15-25-21-9-12-24-14-20(21)19-8-7-16(13-23)17-5-2-3-6-18(17)19;1-2-22(10-11-22)15-25-21-9-12-24-14-20(21)19-8-7-16(13-23)17-5-3-4-6-18(17)19;1-21(9-10-21)14-24-20-8-11-23-13-19(20)18-7-6-15(12-22)16-4-2-3-5-17(16)18;1-2-3-12-23-20-10-11-22-14-19(20)18-9-8-15(13-21)16-6-4-5-7-17(16)18;1-14(22)10-19(7-8-19)13-23-18-6-9-21-12-17(18)16-4-2-15(11-20)3-5-16/h2-3,6-10,13,15H,4-5,11-12,16H2,1H3;2-3,5-9,12,14H,4,10-11,15H2,1H3;3-9,12,14H,2,10-11,15H2,1H3;2-8,11,13H,9-10,14H2,1H3;4-11,14H,2-3,12H2,1H3;2-6,9,12H,7-8,10,13H2,1H3
InChIKeyOAMUBISRSADDOI-UHFFFAOYSA-N
MW2018.81 g/mol
LogP34.36
Rot. Bonds28

About 4-(4-butylsulfanyl-3-pyridinyl)naphthalene-1-carbonitrile;4-[4-[(1-ethylcyclopropyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclobutyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopentyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopropyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[[1-(2-oxopropyl)cyclopropyl]methylsulfanyl]-3-pyridinyl]benzonitrile

4-(4-butylsulfanyl-3-pyridinyl)naphthalene-1-carbonitrile;4-[4-[(1-ethylcyclopropyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclobutyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopentyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopropyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[[1-(2-oxopropyl)cyclopropyl]methylsulfanyl]-3-pyridinyl]benzonitrile (PubChem CID 159937991) has the molecular formula C127H116N12OS6 and a molecular weight of 2018.81 g/mol. Its IUPAC name is 4-(4-butylsulfanyl-3-pyridinyl)naphthalene-1-carbonitrile;4-[4-[(1-ethylcyclopropyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclobutyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopentyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopropyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[[1-(2-oxopropyl)cyclopropyl]methylsulfanyl]-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-(4-butylsulfanyl-3-pyridinyl)naphthalene-1-carbonitrile;4-[4-[(1-ethylcyclopropyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclobutyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopentyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopropyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[[1-(2-oxopropyl)cyclopropyl]methylsulfanyl]-3-pyridinyl]benzonitrile
PubChem CID159937991
Molecular FormulaC127H116N12OS6
Molecular Weight2018.81 g/mol
Exact Mass2016.77
IUPAC Name4-(4-butylsulfanyl-3-pyridinyl)naphthalene-1-carbonitrile;4-[4-[(1-ethylcyclopropyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclobutyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopentyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopropyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[[1-(2-oxopropyl)cyclopropyl]methylsulfanyl]-3-pyridinyl]benzonitrile
SMILESCC(=O)CC1(CSc2ccncc2-c2ccc(C#N)cc2)CC1.CC1(CSc2ccncc2-c2ccc(C#N)c3ccccc23)CC1.CC1(CSc2ccncc2-c2ccc(C#N)c3ccccc23)CCC1.CC1(CSc2ccncc2-c2ccc(C#N)c3ccccc23)CCCC1.CCC1(CSc2ccncc2-c2ccc(C#N)c3ccccc23)CC1.CCCCSc1ccncc1-c1ccc(C#N)c2ccccc12
InChIInChI=1S/C23H22N2S.2C22H20N2S.C21H18N2S.C20H18N2S.C19H18N2OS/c1-23(11-4-5-12-23)16-26-22-10-13-25-15-21(22)20-9-8-17(14-24)18-6-2-3-7-19(18)20;1-22(10-4-11-22)15-25-21-9-12-24-14-20(21)19-8-7-16(13-23)17-5-2-3-6-18(17)19;1-2-22(10-11-22)15-25-21-9-12-24-14-20(21)19-8-7-16(13-23)17-5-3-4-6-18(17)19;1-21(9-10-21)14-24-20-8-11-23-13-19(20)18-7-6-15(12-22)16-4-2-3-5-17(16)18;1-2-3-12-23-20-10-11-22-14-19(20)18-9-8-15(13-21)16-6-4-5-7-17(16)18;1-14(22)10-19(7-8-19)13-23-18-6-9-21-12-17(18)16-4-2-15(11-20)3-5-16/h2-3,6-10,13,15H,4-5,11-12,16H2,1H3;2-3,5-9,12,14H,4,10-11,15H2,1H3;3-9,12,14H,2,10-11,15H2,1H3;2-8,11,13H,9-10,14H2,1H3;4-11,14H,2-3,12H2,1H3;2-6,9,12H,7-8,10,13H2,1H3
InChIKeyOAMUBISRSADDOI-UHFFFAOYSA-N
XLogP34.36
TPSA237.15 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds28
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002018.81
LogP ≤ 534.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(4-butylsulfanyl-3-pyridinyl)naphthalene-1-carbonitrile;4-[4-[(1-ethylcyclopropyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclobutyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopentyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopropyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[[1-(2-oxopropyl)cyclopropyl]methylsulfanyl]-3-pyridinyl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-butylsulfanyl-3-pyridinyl)naphthalene-1-carbonitrile;4-[4-[(1-ethylcyclopropyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclobutyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopentyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopropyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[[1-(2-oxopropyl)cyclopropyl]methylsulfanyl]-3-pyridinyl]benzonitrile?
The IUPAC name of 4-(4-butylsulfanyl-3-pyridinyl)naphthalene-1-carbonitrile;4-[4-[(1-ethylcyclopropyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclobutyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopentyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopropyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[[1-(2-oxopropyl)cyclopropyl]methylsulfanyl]-3-pyridinyl]benzonitrile (CID 159937991) is 4-(4-butylsulfanyl-3-pyridinyl)naphthalene-1-carbonitrile;4-[4-[(1-ethylcyclopropyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclobutyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopentyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopropyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[[1-(2-oxopropyl)cyclopropyl]methylsulfanyl]-3-pyridinyl]benzonitrile.
What is the SMILES notation for 4-(4-butylsulfanyl-3-pyridinyl)naphthalene-1-carbonitrile;4-[4-[(1-ethylcyclopropyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclobutyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopentyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopropyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[[1-(2-oxopropyl)cyclopropyl]methylsulfanyl]-3-pyridinyl]benzonitrile?
The canonical SMILES for 4-(4-butylsulfanyl-3-pyridinyl)naphthalene-1-carbonitrile;4-[4-[(1-ethylcyclopropyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclobutyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopentyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopropyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[[1-(2-oxopropyl)cyclopropyl]methylsulfanyl]-3-pyridinyl]benzonitrile is CC(=O)CC1(CSc2ccncc2-c2ccc(C#N)cc2)CC1.CC1(CSc2ccncc2-c2ccc(C#N)c3ccccc23)CC1.CC1(CSc2ccncc2-c2ccc(C#N)c3ccccc23)CCC1.CC1(CSc2ccncc2-c2ccc(C#N)c3ccccc23)CCCC1.CCC1(CSc2ccncc2-c2ccc(C#N)c3ccccc23)CC1.CCCCSc1ccncc1-c1ccc(C#N)c2ccccc12.
What is the InChIKey of 4-(4-butylsulfanyl-3-pyridinyl)naphthalene-1-carbonitrile;4-[4-[(1-ethylcyclopropyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclobutyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopentyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopropyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[[1-(2-oxopropyl)cyclopropyl]methylsulfanyl]-3-pyridinyl]benzonitrile?
The InChIKey is OAMUBISRSADDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2S.2C22H20N2S.C21H18N2S.C20H18N2S.C19H18N2OS/c1-23(11-4-5-12-23)16-26-22-10-13-25-15-21(22)20-9-8-17(14-24)18-6-2-3-7-19(18)20;1-22(10-4-11-22)15-25-21-9-12-24-14-20(21)19-8-7-16(13-23)17-5-2-3-6-18(17)19;1-2-22(10-11-22)15-25-21-9-12-24-14-20(21)19-8-7-16(13-23)17-5-3-4-6-18(17)19;1-21(9-10-21)14-24-20-8-11-23-13-19(20)18-7-6-15(12-22)16-4-2-3-5-17(16)18;1-2-3-12-23-20-10-11-22-14-19(20)18-9-8-15(13-21)16-6-4-5-7-17(16)18;1-14(22)10-19(7-8-19)13-23-18-6-9-21-12-17(18)16-4-2-15(11-20)3-5-16/h2-3,6-10,13,15H,4-5,11-12,16H2,1H3;2-3,5-9,12,14H,4,10-11,15H2,1H3;3-9,12,14H,2,10-11,15H2,1H3;2-8,11,13H,9-10,14H2,1H3;4-11,14H,2-3,12H2,1H3;2-6,9,12H,7-8,10,13H2,1H3.
What are the key properties of 4-(4-butylsulfanyl-3-pyridinyl)naphthalene-1-carbonitrile;4-[4-[(1-ethylcyclopropyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclobutyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopentyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopropyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[[1-(2-oxopropyl)cyclopropyl]methylsulfanyl]-3-pyridinyl]benzonitrile?
4-(4-butylsulfanyl-3-pyridinyl)naphthalene-1-carbonitrile;4-[4-[(1-ethylcyclopropyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclobutyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopentyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopropyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[[1-(2-oxopropyl)cyclopropyl]methylsulfanyl]-3-pyridinyl]benzonitrile has a molecular weight of 2018.81 g/mol, XLogP of 34.36, 28 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylsulfanyl-3-pyridinyl)naphthalene-1-carbonitrile;4-[4-[(1-ethylcyclopropyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclobutyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopentyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopropyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[[1-(2-oxopropyl)cyclopropyl]methylsulfanyl]-3-pyridinyl]benzonitrile is sourced from PubChem (CID 159937991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).