2-amino-6-[(6-methyl-2-pyridinyl)methylsulfanyl]-4-[4-[(3S)-oxolan-3-yl]phenyl]pyridine-3,5-dicarbonitrile

C24H21N5OS — CID 176709653

IUPAC2-amino-6-[(6-methyl-2-pyridinyl)methylsulfanyl]-4-[4-[(3S)-oxolan-3-yl]phenyl]pyridine-3,5-dicarbonitrile
SMILESCc1cccc(CSc2nc(N)c(C#N)c(-c3ccc([C@@H]4CCOC4)cc3)c2C#N)n1
InChIInChI=1S/C24H21N5OS/c1-15-3-2-4-19(28-15)14-31-24-21(12-26)22(20(11-25)23(27)29-24)17-7-5-16(6-8-17)18-9-10-30-13-18/h2-8,18H,9-10,13-14H2,1H3,(H2,27,29)/t18-/m1/s1
InChIKeyQVVDUERBIQUXPM-GOSISDBHSA-N
MW427.53 g/mol
LogP4.57
Rot. Bonds5

About 2-amino-6-[(6-methyl-2-pyridinyl)methylsulfanyl]-4-[4-[(3S)-oxolan-3-yl]phenyl]pyridine-3,5-dicarbonitrile

2-amino-6-[(6-methyl-2-pyridinyl)methylsulfanyl]-4-[4-[(3S)-oxolan-3-yl]phenyl]pyridine-3,5-dicarbonitrile (PubChem CID 176709653) has the molecular formula C24H21N5OS and a molecular weight of 427.53 g/mol. Its IUPAC name is 2-amino-6-[(6-methyl-2-pyridinyl)methylsulfanyl]-4-[4-[(3S)-oxolan-3-yl]phenyl]pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-[(6-methyl-2-pyridinyl)methylsulfanyl]-4-[4-[(3S)-oxolan-3-yl]phenyl]pyridine-3,5-dicarbonitrile
PubChem CID176709653
Molecular FormulaC24H21N5OS
Molecular Weight427.53 g/mol
Exact Mass427.15
IUPAC Name2-amino-6-[(6-methyl-2-pyridinyl)methylsulfanyl]-4-[4-[(3S)-oxolan-3-yl]phenyl]pyridine-3,5-dicarbonitrile
SMILESCc1cccc(CSc2nc(N)c(C#N)c(-c3ccc([C@@H]4CCOC4)cc3)c2C#N)n1
InChIInChI=1S/C24H21N5OS/c1-15-3-2-4-19(28-15)14-31-24-21(12-26)22(20(11-25)23(27)29-24)17-7-5-16(6-8-17)18-9-10-30-13-18/h2-8,18H,9-10,13-14H2,1H3,(H2,27,29)/t18-/m1/s1
InChIKeyQVVDUERBIQUXPM-GOSISDBHSA-N
XLogP4.57
TPSA108.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-amino-6-[(6-methyl-2-pyridinyl)methylsulfanyl]-4-[4-[(3S)-oxolan-3-yl]phenyl]pyridine-3,5-dicarbonitrile with MolForge

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Related Compounds

2-(ethylamino)-6-(oxetan-3-ylmethylsulfanyl)-4-[4-[(3S)-oxolan-3-yl]phenyl]pyridine-3,5-dicarbonitrile
CID 176709629
2-amino-6-(1H-indol-4-ylmethylsulfanyl)-4-[4-(oxolan-3-yloxy)phenyl]pyridine-3,5-dicarbonitrile
CID 169151756
2-(3-fluoroazetidin-1-yl)-6-(oxetan-3-ylmethylsulfanyl)-4-[4-[(3S)-oxolan-3-yl]phenyl]pyridine-3,5-dicarbonitrile
CID 176709611
2-amino-4-(4-chlorophenyl)-6-(2-hydroxypropylsulfanyl)pyridine-3,5-dicarbonitrile
CID 58739701
2-amino-4-(2,3-dihydro-1-benzofuran-5-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile
CID 23540297
2-amino-4-(4-fluorophenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridine-3,5-dicarbonitrile
CID 1387121
2-amino-4-(4-ethoxyphenyl)-6-(furan-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
CID 28622191
2-amino-6-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile
CID 143534778
2-amino-4-(4-methylphenyl)-6-prop-2-enylsulfanylpyridine-3,5-dicarbonitrile
CID 660824
2-amino-4-(4-ethoxyphenyl)-6-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile
CID 71175759
2-amino-6-[[3-[(4-methylphenyl)sulfonylmethyl]phenyl]methylsulfanyl]-4-phenylpyridine-3,5-dicarbonitrile
CID 58739487
2-amino-6-methylsulfanyl-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile
CID 760984

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(6-methyl-2-pyridinyl)methylsulfanyl]-4-[4-[(3S)-oxolan-3-yl]phenyl]pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-[(6-methyl-2-pyridinyl)methylsulfanyl]-4-[4-[(3S)-oxolan-3-yl]phenyl]pyridine-3,5-dicarbonitrile (CID 176709653) is 2-amino-6-[(6-methyl-2-pyridinyl)methylsulfanyl]-4-[4-[(3S)-oxolan-3-yl]phenyl]pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-[(6-methyl-2-pyridinyl)methylsulfanyl]-4-[4-[(3S)-oxolan-3-yl]phenyl]pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-[(6-methyl-2-pyridinyl)methylsulfanyl]-4-[4-[(3S)-oxolan-3-yl]phenyl]pyridine-3,5-dicarbonitrile is Cc1cccc(CSc2nc(N)c(C#N)c(-c3ccc([C@@H]4CCOC4)cc3)c2C#N)n1.
What is the InChIKey of 2-amino-6-[(6-methyl-2-pyridinyl)methylsulfanyl]-4-[4-[(3S)-oxolan-3-yl]phenyl]pyridine-3,5-dicarbonitrile?
The InChIKey is QVVDUERBIQUXPM-GOSISDBHSA-N. The full InChI is InChI=1S/C24H21N5OS/c1-15-3-2-4-19(28-15)14-31-24-21(12-26)22(20(11-25)23(27)29-24)17-7-5-16(6-8-17)18-9-10-30-13-18/h2-8,18H,9-10,13-14H2,1H3,(H2,27,29)/t18-/m1/s1.
What are the key properties of 2-amino-6-[(6-methyl-2-pyridinyl)methylsulfanyl]-4-[4-[(3S)-oxolan-3-yl]phenyl]pyridine-3,5-dicarbonitrile?
2-amino-6-[(6-methyl-2-pyridinyl)methylsulfanyl]-4-[4-[(3S)-oxolan-3-yl]phenyl]pyridine-3,5-dicarbonitrile has a molecular weight of 427.53 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(6-methyl-2-pyridinyl)methylsulfanyl]-4-[4-[(3S)-oxolan-3-yl]phenyl]pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 176709653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).