4-(4-butylsulfanyl-3-pyridinyl)naphthalene-1-carbonitrile;2-[1-[[2-(4-cyanophenyl)phenyl]sulfanylmethyl]cyclopropyl]acetic acid;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

C127H115N11O2S6 — CID 159942102

IUPAC4-(4-butylsulfanyl-3-pyridinyl)naphthalene-1-carbonitrile;2-[1-[[2-(4-cyanophenyl)phenyl]sulfanylmethyl]cyclopropyl]acetic acid;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
SMILESCC1(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.N#Cc1ccc(-c2ccccc2SCC2(CC(=O)O)CC2)cc1
InChIInChI=1S/C23H22N2S.2C22H20N2S.C21H18N2S.C20H18N2S.C19H17NO2S/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;20-12-14-5-7-15(8-6-14)16-3-1-2-4-17(16)23-13-19(9-10-19)11-18(21)22/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;1-8H,9-11,13H2,(H,21,22)
InChIKeyOAZXYAXQOZHWOA-UHFFFAOYSA-N
MW2019.79 g/mol
LogP34.46
Rot. Bonds28

About 4-(4-butylsulfanyl-3-pyridinyl)naphthalene-1-carbonitrile;2-[1-[[2-(4-cyanophenyl)phenyl]sulfanylmethyl]cyclopropyl]acetic acid;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-butylsulfanyl-3-pyridinyl)naphthalene-1-carbonitrile;2-[1-[[2-(4-cyanophenyl)phenyl]sulfanylmethyl]cyclopropyl]acetic acid;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 (PubChem CID 159942102) has the molecular formula C127H115N11O2S6 and a molecular weight of 2019.79 g/mol. Its IUPAC name is 4-(4-butylsulfanyl-3-pyridinyl)naphthalene-1-carbonitrile;2-[1-[[2-(4-cyanophenyl)phenyl]sulfanylmethyl]cyclopropyl]acetic acid;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.

Molecular Properties

Compound Name4-(4-butylsulfanyl-3-pyridinyl)naphthalene-1-carbonitrile;2-[1-[[2-(4-cyanophenyl)phenyl]sulfanylmethyl]cyclopropyl]acetic acid;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
PubChem CID159942102
Molecular FormulaC127H115N11O2S6
Molecular Weight2019.79 g/mol
Exact Mass2017.76
IUPAC Name4-(4-butylsulfanyl-3-pyridinyl)naphthalene-1-carbonitrile;2-[1-[[2-(4-cyanophenyl)phenyl]sulfanylmethyl]cyclopropyl]acetic acid;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
SMILESCC1(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.N#Cc1ccc(-c2ccccc2SCC2(CC(=O)O)CC2)cc1
InChIInChI=1S/C23H22N2S.2C22H20N2S.C21H18N2S.C20H18N2S.C19H17NO2S/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;20-12-14-5-7-15(8-6-14)16-3-1-2-4-17(16)23-13-19(9-10-19)11-18(21)22/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;1-8H,9-11,13H2,(H,21,22)
InChIKeyOAZXYAXQOZHWOA-UHFFFAOYSA-N
XLogP34.46
TPSA244.49 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds28
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002019.79
LogP ≤ 534.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 4-(4-butylsulfanyl-3-pyridinyl)naphthalene-1-carbonitrile;2-[1-[[2-(4-cyanophenyl)phenyl]sulfanylmethyl]cyclopropyl]acetic acid;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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-butylsulfanyl-3-pyridinyl)naphthalene-1-carbonitrile;2-[1-[[2-(4-cyanophenyl)phenyl]sulfanylmethyl]cyclopropyl]acetic acid;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?
The IUPAC name of 4-(4-butylsulfanyl-3-pyridinyl)naphthalene-1-carbonitrile;2-[1-[[2-(4-cyanophenyl)phenyl]sulfanylmethyl]cyclopropyl]acetic acid;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 (CID 159942102) is 4-(4-butylsulfanyl-3-pyridinyl)naphthalene-1-carbonitrile;2-[1-[[2-(4-cyanophenyl)phenyl]sulfanylmethyl]cyclopropyl]acetic acid;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.
What is the SMILES notation for 4-(4-butylsulfanyl-3-pyridinyl)naphthalene-1-carbonitrile;2-[1-[[2-(4-cyanophenyl)phenyl]sulfanylmethyl]cyclopropyl]acetic acid;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?
The canonical SMILES for 4-(4-butylsulfanyl-3-pyridinyl)naphthalene-1-carbonitrile;2-[1-[[2-(4-cyanophenyl)phenyl]sulfanylmethyl]cyclopropyl]acetic acid;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 is 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.N#Cc1ccc(-c2ccccc2SCC2(CC(=O)O)CC2)cc1.
What is the InChIKey of 4-(4-butylsulfanyl-3-pyridinyl)naphthalene-1-carbonitrile;2-[1-[[2-(4-cyanophenyl)phenyl]sulfanylmethyl]cyclopropyl]acetic acid;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?
The InChIKey is OAZXYAXQOZHWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2S.2C22H20N2S.C21H18N2S.C20H18N2S.C19H17NO2S/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;20-12-14-5-7-15(8-6-14)16-3-1-2-4-17(16)23-13-19(9-10-19)11-18(21)22/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;1-8H,9-11,13H2,(H,21,22).
What are the key properties of 4-(4-butylsulfanyl-3-pyridinyl)naphthalene-1-carbonitrile;2-[1-[[2-(4-cyanophenyl)phenyl]sulfanylmethyl]cyclopropyl]acetic acid;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-butylsulfanyl-3-pyridinyl)naphthalene-1-carbonitrile;2-[1-[[2-(4-cyanophenyl)phenyl]sulfanylmethyl]cyclopropyl]acetic acid;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 has a molecular weight of 2019.79 g/mol, XLogP of 34.46, 28 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylsulfanyl-3-pyridinyl)naphthalene-1-carbonitrile;2-[1-[[2-(4-cyanophenyl)phenyl]sulfanylmethyl]cyclopropyl]acetic acid;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 is sourced from PubChem (CID 159942102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).