2-amino-6-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile

C23H19N5O2S — CID 23971448

IUPAC2-amino-6-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile
SMILESCC(Sc1nc(N)c(C#N)c(-c2ccco2)c1C#N)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C23H19N5O2S/c1-14(23(29)28-10-4-7-15-6-2-3-8-18(15)28)31-22-17(13-25)20(19-9-5-11-30-19)16(12-24)21(26)27-22/h2-3,5-6,8-9,11,14H,4,7,10H2,1H3,(H2,26,27)
InChIKeyGDWILISSMDJJQU-UHFFFAOYSA-N
MW429.51 g/mol
LogP4.13
Rot. Bonds4

About 2-amino-6-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile

2-amino-6-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile (PubChem CID 23971448) has the molecular formula C23H19N5O2S and a molecular weight of 429.51 g/mol. Its IUPAC name is 2-amino-6-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile
PubChem CID23971448
Molecular FormulaC23H19N5O2S
Molecular Weight429.51 g/mol
Exact Mass429.13
IUPAC Name2-amino-6-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile
SMILESCC(Sc1nc(N)c(C#N)c(-c2ccco2)c1C#N)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C23H19N5O2S/c1-14(23(29)28-10-4-7-15-6-2-3-8-18(15)28)31-22-17(13-25)20(19-9-5-11-30-19)16(12-24)21(26)27-22/h2-3,5-6,8-9,11,14H,4,7,10H2,1H3,(H2,26,27)
InChIKeyGDWILISSMDJJQU-UHFFFAOYSA-N
XLogP4.13
TPSA119.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-amino-6-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-6-[1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1-oxopropan-2-yl]sulfanyl-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile
CID 23802541
2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(3,5-dimethylphenyl)propanamide
CID 23858814
2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylpropanamide
CID 23970545
N-[4-(acetylsulfamoyl)phenyl]-2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]propanamide
CID 25034825
2-amino-6-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-4-(4-ethylphenyl)pyridine-3,5-dicarbonitrile
CID 23773410
(2S)-1-(2,3-dihydroindol-1-yl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one
CID 7816610
2-amino-4-(furan-2-yl)-6-phenylsulfanylpyridine-3,5-dicarbonitrile
CID 28621951
2-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfanyl-6-(4-methoxyphenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 23831316
1-(2,3-dihydroindol-1-yl)-2-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one
CID 16513628
2-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]sulfanyl-3-(furan-2-ylmethyl)quinazolin-4-one
CID 16510979
2-amino-4-(furan-2-yl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile
CID 10424154
(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one
CID 2448958

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile (CID 23971448) is 2-amino-6-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile is CC(Sc1nc(N)c(C#N)c(-c2ccco2)c1C#N)C(=O)N1CCCc2ccccc21.
What is the InChIKey of 2-amino-6-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile?
The InChIKey is GDWILISSMDJJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2S/c1-14(23(29)28-10-4-7-15-6-2-3-8-18(15)28)31-22-17(13-25)20(19-9-5-11-30-19)16(12-24)21(26)27-22/h2-3,5-6,8-9,11,14H,4,7,10H2,1H3,(H2,26,27).
What are the key properties of 2-amino-6-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile?
2-amino-6-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile has a molecular weight of 429.51 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 23971448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).