2-(ethylamino)-6-(oxetan-3-ylmethylsulfanyl)-4-[4-[(3S)-oxolan-3-yl]phenyl]pyridine-3,5-dicarbonitrile

C23H24N4O2S — CID 176709629

IUPAC2-(ethylamino)-6-(oxetan-3-ylmethylsulfanyl)-4-[4-[(3S)-oxolan-3-yl]phenyl]pyridine-3,5-dicarbonitrile
SMILESCCNc1nc(SCC2COC2)c(C#N)c(-c2ccc([C@@H]3CCOC3)cc2)c1C#N
InChIInChI=1S/C23H24N4O2S/c1-2-26-22-19(9-24)21(17-5-3-16(4-6-17)18-7-8-28-13-18)20(10-25)23(27-22)30-14-15-11-29-12-15/h3-6,15,18H,2,7-8,11-14H2,1H3,(H,26,27)/t18-/m1/s1
InChIKeyQJSYDLGJVCQFDJ-GOSISDBHSA-N
MW420.54 g/mol
LogP4.17
Rot. Bonds7

About 2-(ethylamino)-6-(oxetan-3-ylmethylsulfanyl)-4-[4-[(3S)-oxolan-3-yl]phenyl]pyridine-3,5-dicarbonitrile

2-(ethylamino)-6-(oxetan-3-ylmethylsulfanyl)-4-[4-[(3S)-oxolan-3-yl]phenyl]pyridine-3,5-dicarbonitrile (PubChem CID 176709629) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is 2-(ethylamino)-6-(oxetan-3-ylmethylsulfanyl)-4-[4-[(3S)-oxolan-3-yl]phenyl]pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-(ethylamino)-6-(oxetan-3-ylmethylsulfanyl)-4-[4-[(3S)-oxolan-3-yl]phenyl]pyridine-3,5-dicarbonitrile
PubChem CID176709629
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC Name2-(ethylamino)-6-(oxetan-3-ylmethylsulfanyl)-4-[4-[(3S)-oxolan-3-yl]phenyl]pyridine-3,5-dicarbonitrile
SMILESCCNc1nc(SCC2COC2)c(C#N)c(-c2ccc([C@@H]3CCOC3)cc2)c1C#N
InChIInChI=1S/C23H24N4O2S/c1-2-26-22-19(9-24)21(17-5-3-16(4-6-17)18-7-8-28-13-18)20(10-25)23(27-22)30-14-15-11-29-12-15/h3-6,15,18H,2,7-8,11-14H2,1H3,(H,26,27)/t18-/m1/s1
InChIKeyQJSYDLGJVCQFDJ-GOSISDBHSA-N
XLogP4.17
TPSA90.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-fluoroazetidin-1-yl)-6-(oxetan-3-ylmethylsulfanyl)-4-[4-[(3S)-oxolan-3-yl]phenyl]pyridine-3,5-dicarbonitrile
CID 176709611
2-(cyclopropylamino)-4-[4-(2-methoxyethoxy)phenyl]-6-(oxetan-3-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
CID 176710072
4-[4-(3-cyanocyclobutyl)oxyphenyl]-2-(methylamino)-6-(oxetan-3-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
CID 176709690
2-amino-6-[(6-methyl-2-pyridinyl)methylsulfanyl]-4-[4-[(3S)-oxolan-3-yl]phenyl]pyridine-3,5-dicarbonitrile
CID 176709653
N-[4-[3,5-dicyano-2-(ethylamino)-6-(2-hydroxyethylsulfanyl)-4-pyridinyl]phenyl]acetamide
CID 58670186
4-(1,3-benzodioxol-5-yl)-2-(ethylamino)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile
CID 58670234
2-amino-4-[4-[1-(difluoromethoxy)-2-fluoropentan-2-yl]oxyphenyl]-6-(oxetan-3-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
CID 176710054
4-(1,3-benzodioxol-5-yl)-2-benzylsulfanyl-6-(cyclopropylmethylamino)pyridine-3,5-dicarbonitrile
CID 58670215
2-amino-4-[4-[(1-methoxycyclopropyl)methoxy]phenyl]-5-(methylamino)-6-(oxetan-3-ylmethylsulfanyl)pyridine-3-carbonitrile
CID 176709687
2-(methylamino)-6-[(5-nitrofuran-2-yl)methylsulfanyl]-4-phenylpyridine-3,5-dicarbonitrile
CID 10293831
5,6-dimethyl-3-(oxolan-3-ylmethylamino)pyridazine-4-carbonitrile
CID 47184936
2-(3-fluoroazetidin-1-yl)-4-[5-(2-methoxyethoxy)-2-pyridinyl]-6-(oxetan-3-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
CID 176709875

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-6-(oxetan-3-ylmethylsulfanyl)-4-[4-[(3S)-oxolan-3-yl]phenyl]pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-(ethylamino)-6-(oxetan-3-ylmethylsulfanyl)-4-[4-[(3S)-oxolan-3-yl]phenyl]pyridine-3,5-dicarbonitrile (CID 176709629) is 2-(ethylamino)-6-(oxetan-3-ylmethylsulfanyl)-4-[4-[(3S)-oxolan-3-yl]phenyl]pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-(ethylamino)-6-(oxetan-3-ylmethylsulfanyl)-4-[4-[(3S)-oxolan-3-yl]phenyl]pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-(ethylamino)-6-(oxetan-3-ylmethylsulfanyl)-4-[4-[(3S)-oxolan-3-yl]phenyl]pyridine-3,5-dicarbonitrile is CCNc1nc(SCC2COC2)c(C#N)c(-c2ccc([C@@H]3CCOC3)cc2)c1C#N.
What is the InChIKey of 2-(ethylamino)-6-(oxetan-3-ylmethylsulfanyl)-4-[4-[(3S)-oxolan-3-yl]phenyl]pyridine-3,5-dicarbonitrile?
The InChIKey is QJSYDLGJVCQFDJ-GOSISDBHSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-2-26-22-19(9-24)21(17-5-3-16(4-6-17)18-7-8-28-13-18)20(10-25)23(27-22)30-14-15-11-29-12-15/h3-6,15,18H,2,7-8,11-14H2,1H3,(H,26,27)/t18-/m1/s1.
What are the key properties of 2-(ethylamino)-6-(oxetan-3-ylmethylsulfanyl)-4-[4-[(3S)-oxolan-3-yl]phenyl]pyridine-3,5-dicarbonitrile?
2-(ethylamino)-6-(oxetan-3-ylmethylsulfanyl)-4-[4-[(3S)-oxolan-3-yl]phenyl]pyridine-3,5-dicarbonitrile has a molecular weight of 420.54 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-6-(oxetan-3-ylmethylsulfanyl)-4-[4-[(3S)-oxolan-3-yl]phenyl]pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 176709629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).