4-[4-[(1-methylcyclobutyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopentyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;5-methyl-6-[4-(2-methyl-3-oxobutan-2-yl)sulfanyl-3-pyridinyl]pyridine-3-carbonitrile;4-[4-(2-methylpentan-2-ylsulfanyl)-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[[1-(2-oxopropyl)cyclopropyl]methylsulfanyl]-3-pyridinyl]benzonitrile

C103H99N11O2S5 — CID 159437605

IUPAC4-[4-[(1-methylcyclobutyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopentyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;5-methyl-6-[4-(2-methyl-3-oxobutan-2-yl)sulfanyl-3-pyridinyl]pyridine-3-carbonitrile;4-[4-(2-methylpentan-2-ylsulfanyl)-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[[1-(2-oxopropyl)cyclopropyl]methylsulfanyl]-3-pyridinyl]benzonitrile
SMILESCC(=O)C(C)(C)Sc1ccncc1-c1ncc(C#N)cc1C.CC(=O)CC1(CSc2ccncc2-c2ccc(C#N)cc2)CC1.CC1(CSc2ccncc2-c2ccc(C#N)c3ccccc23)CCC1.CC1(CSc2ccncc2-c2ccc(C#N)c3ccccc23)CCCC1.CCCC(C)(C)Sc1ccncc1-c1ccc(C#N)c2ccccc12
InChIInChI=1S/C23H22N2S.C22H20N2S.C22H22N2S.C19H18N2OS.C17H17N3OS/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;1-4-12-22(2,3)25-21-11-13-24-15-20(21)19-10-9-16(14-23)17-7-5-6-8-18(17)19;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;1-11-7-13(8-18)9-20-16(11)14-10-19-6-5-15(14)22-17(3,4)12(2)21/h2-3,6-10,13,15H,4-5,11-12,16H2,1H3;2-3,5-9,12,14H,4,10-11,15H2,1H3;5-11,13,15H,4,12H2,1-3H3;2-6,9,12H,7-8,10,13H2,1H3;5-7,9-10H,1-4H3
InChIKeyLRTRMTXQEVKLMC-UHFFFAOYSA-N
MW1683.33 g/mol
LogP27.20
Rot. Bonds23

About 4-[4-[(1-methylcyclobutyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopentyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;5-methyl-6-[4-(2-methyl-3-oxobutan-2-yl)sulfanyl-3-pyridinyl]pyridine-3-carbonitrile;4-[4-(2-methylpentan-2-ylsulfanyl)-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[[1-(2-oxopropyl)cyclopropyl]methylsulfanyl]-3-pyridinyl]benzonitrile

4-[4-[(1-methylcyclobutyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopentyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;5-methyl-6-[4-(2-methyl-3-oxobutan-2-yl)sulfanyl-3-pyridinyl]pyridine-3-carbonitrile;4-[4-(2-methylpentan-2-ylsulfanyl)-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[[1-(2-oxopropyl)cyclopropyl]methylsulfanyl]-3-pyridinyl]benzonitrile (PubChem CID 159437605) has the molecular formula C103H99N11O2S5 and a molecular weight of 1683.33 g/mol. Its IUPAC name is 4-[4-[(1-methylcyclobutyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopentyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;5-methyl-6-[4-(2-methyl-3-oxobutan-2-yl)sulfanyl-3-pyridinyl]pyridine-3-carbonitrile;4-[4-(2-methylpentan-2-ylsulfanyl)-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[[1-(2-oxopropyl)cyclopropyl]methylsulfanyl]-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[(1-methylcyclobutyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopentyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;5-methyl-6-[4-(2-methyl-3-oxobutan-2-yl)sulfanyl-3-pyridinyl]pyridine-3-carbonitrile;4-[4-(2-methylpentan-2-ylsulfanyl)-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[[1-(2-oxopropyl)cyclopropyl]methylsulfanyl]-3-pyridinyl]benzonitrile
PubChem CID159437605
Molecular FormulaC103H99N11O2S5
Molecular Weight1683.33 g/mol
Exact Mass1681.66
IUPAC Name4-[4-[(1-methylcyclobutyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopentyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;5-methyl-6-[4-(2-methyl-3-oxobutan-2-yl)sulfanyl-3-pyridinyl]pyridine-3-carbonitrile;4-[4-(2-methylpentan-2-ylsulfanyl)-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[[1-(2-oxopropyl)cyclopropyl]methylsulfanyl]-3-pyridinyl]benzonitrile
SMILESCC(=O)C(C)(C)Sc1ccncc1-c1ncc(C#N)cc1C.CC(=O)CC1(CSc2ccncc2-c2ccc(C#N)cc2)CC1.CC1(CSc2ccncc2-c2ccc(C#N)c3ccccc23)CCC1.CC1(CSc2ccncc2-c2ccc(C#N)c3ccccc23)CCCC1.CCCC(C)(C)Sc1ccncc1-c1ccc(C#N)c2ccccc12
InChIInChI=1S/C23H22N2S.C22H20N2S.C22H22N2S.C19H18N2OS.C17H17N3OS/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;1-4-12-22(2,3)25-21-11-13-24-15-20(21)19-10-9-16(14-23)17-7-5-6-8-18(17)19;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;1-11-7-13(8-18)9-20-16(11)14-10-19-6-5-15(14)22-17(3,4)12(2)21/h2-3,6-10,13,15H,4-5,11-12,16H2,1H3;2-3,5-9,12,14H,4,10-11,15H2,1H3;5-11,13,15H,4,12H2,1-3H3;2-6,9,12H,7-8,10,13H2,1H3;5-7,9-10H,1-4H3
InChIKeyLRTRMTXQEVKLMC-UHFFFAOYSA-N
XLogP27.20
TPSA230.43 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds23
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001683.33
LogP ≤ 527.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 4-[4-[(1-methylcyclobutyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopentyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;5-methyl-6-[4-(2-methyl-3-oxobutan-2-yl)sulfanyl-3-pyridinyl]pyridine-3-carbonitrile;4-[4-(2-methylpentan-2-ylsulfanyl)-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-[(1-methylcyclobutyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopentyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;5-methyl-6-[4-(2-methyl-3-oxobutan-2-yl)sulfanyl-3-pyridinyl]pyridine-3-carbonitrile;4-[4-(2-methylpentan-2-ylsulfanyl)-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[[1-(2-oxopropyl)cyclopropyl]methylsulfanyl]-3-pyridinyl]benzonitrile?
The IUPAC name of 4-[4-[(1-methylcyclobutyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopentyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;5-methyl-6-[4-(2-methyl-3-oxobutan-2-yl)sulfanyl-3-pyridinyl]pyridine-3-carbonitrile;4-[4-(2-methylpentan-2-ylsulfanyl)-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[[1-(2-oxopropyl)cyclopropyl]methylsulfanyl]-3-pyridinyl]benzonitrile (CID 159437605) is 4-[4-[(1-methylcyclobutyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopentyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;5-methyl-6-[4-(2-methyl-3-oxobutan-2-yl)sulfanyl-3-pyridinyl]pyridine-3-carbonitrile;4-[4-(2-methylpentan-2-ylsulfanyl)-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[[1-(2-oxopropyl)cyclopropyl]methylsulfanyl]-3-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[4-[(1-methylcyclobutyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopentyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;5-methyl-6-[4-(2-methyl-3-oxobutan-2-yl)sulfanyl-3-pyridinyl]pyridine-3-carbonitrile;4-[4-(2-methylpentan-2-ylsulfanyl)-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[[1-(2-oxopropyl)cyclopropyl]methylsulfanyl]-3-pyridinyl]benzonitrile?
The canonical SMILES for 4-[4-[(1-methylcyclobutyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopentyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;5-methyl-6-[4-(2-methyl-3-oxobutan-2-yl)sulfanyl-3-pyridinyl]pyridine-3-carbonitrile;4-[4-(2-methylpentan-2-ylsulfanyl)-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[[1-(2-oxopropyl)cyclopropyl]methylsulfanyl]-3-pyridinyl]benzonitrile is CC(=O)C(C)(C)Sc1ccncc1-c1ncc(C#N)cc1C.CC(=O)CC1(CSc2ccncc2-c2ccc(C#N)cc2)CC1.CC1(CSc2ccncc2-c2ccc(C#N)c3ccccc23)CCC1.CC1(CSc2ccncc2-c2ccc(C#N)c3ccccc23)CCCC1.CCCC(C)(C)Sc1ccncc1-c1ccc(C#N)c2ccccc12.
What is the InChIKey of 4-[4-[(1-methylcyclobutyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopentyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;5-methyl-6-[4-(2-methyl-3-oxobutan-2-yl)sulfanyl-3-pyridinyl]pyridine-3-carbonitrile;4-[4-(2-methylpentan-2-ylsulfanyl)-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[[1-(2-oxopropyl)cyclopropyl]methylsulfanyl]-3-pyridinyl]benzonitrile?
The InChIKey is LRTRMTXQEVKLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2S.C22H20N2S.C22H22N2S.C19H18N2OS.C17H17N3OS/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;1-4-12-22(2,3)25-21-11-13-24-15-20(21)19-10-9-16(14-23)17-7-5-6-8-18(17)19;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;1-11-7-13(8-18)9-20-16(11)14-10-19-6-5-15(14)22-17(3,4)12(2)21/h2-3,6-10,13,15H,4-5,11-12,16H2,1H3;2-3,5-9,12,14H,4,10-11,15H2,1H3;5-11,13,15H,4,12H2,1-3H3;2-6,9,12H,7-8,10,13H2,1H3;5-7,9-10H,1-4H3.
What are the key properties of 4-[4-[(1-methylcyclobutyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopentyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;5-methyl-6-[4-(2-methyl-3-oxobutan-2-yl)sulfanyl-3-pyridinyl]pyridine-3-carbonitrile;4-[4-(2-methylpentan-2-ylsulfanyl)-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[[1-(2-oxopropyl)cyclopropyl]methylsulfanyl]-3-pyridinyl]benzonitrile?
4-[4-[(1-methylcyclobutyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopentyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;5-methyl-6-[4-(2-methyl-3-oxobutan-2-yl)sulfanyl-3-pyridinyl]pyridine-3-carbonitrile;4-[4-(2-methylpentan-2-ylsulfanyl)-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[[1-(2-oxopropyl)cyclopropyl]methylsulfanyl]-3-pyridinyl]benzonitrile has a molecular weight of 1683.33 g/mol, XLogP of 27.20, 23 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1-methylcyclobutyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[(1-methylcyclopentyl)methylsulfanyl]-3-pyridinyl]naphthalene-1-carbonitrile;5-methyl-6-[4-(2-methyl-3-oxobutan-2-yl)sulfanyl-3-pyridinyl]pyridine-3-carbonitrile;4-[4-(2-methylpentan-2-ylsulfanyl)-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[[1-(2-oxopropyl)cyclopropyl]methylsulfanyl]-3-pyridinyl]benzonitrile is sourced from PubChem (CID 159437605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).