2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(3,4-dichlorophenyl)propanamide

C20H13Cl2N5O2S — CID 23942614

IUPAC2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(3,4-dichlorophenyl)propanamide
SMILESCC(Sc1nc(N)c(C#N)c(-c2ccco2)c1C#N)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H13Cl2N5O2S/c1-10(19(28)26-11-4-5-14(21)15(22)7-11)30-20-13(9-24)17(16-3-2-6-29-16)12(8-23)18(25)27-20/h2-7,10H,1H3,(H2,25,27)(H,26,28)
InChIKeyOVLLOQKMTGUXGH-UHFFFAOYSA-N
MW458.33 g/mol
LogP5.09
Rot. Bonds5

About 2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(3,4-dichlorophenyl)propanamide

2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(3,4-dichlorophenyl)propanamide (PubChem CID 23942614) has the molecular formula C20H13Cl2N5O2S and a molecular weight of 458.33 g/mol. Its IUPAC name is 2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(3,4-dichlorophenyl)propanamide.

Molecular Properties

Compound Name2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(3,4-dichlorophenyl)propanamide
PubChem CID23942614
Molecular FormulaC20H13Cl2N5O2S
Molecular Weight458.33 g/mol
Exact Mass457.02
IUPAC Name2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(3,4-dichlorophenyl)propanamide
SMILESCC(Sc1nc(N)c(C#N)c(-c2ccco2)c1C#N)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H13Cl2N5O2S/c1-10(19(28)26-11-4-5-14(21)15(22)7-11)30-20-13(9-24)17(16-3-2-6-29-16)12(8-23)18(25)27-20/h2-7,10H,1H3,(H2,25,27)(H,26,28)
InChIKeyOVLLOQKMTGUXGH-UHFFFAOYSA-N
XLogP5.09
TPSA128.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.33
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(3,4-dichlorophenyl)propanamide with MolForge

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Related Compounds

2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(3-chlorophenyl)propanamide
CID 23970568
2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(3,5-dimethylphenyl)propanamide
CID 23858814
N-[4-(acetylsulfamoyl)phenyl]-2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]propanamide
CID 25034825
2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylpropanamide
CID 23970545
2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide
CID 23830332
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
2-[[6-amino-3,5-dicyano-4-(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)-2-pyridinyl]sulfanyl]-N-naphthalen-2-ylpropanamide
CID 53295535
3-[2-[(6-amino-3,5-dicyano-4-thiophen-3-yl-2-pyridinyl)sulfanyl]propanoylamino]benzoic acid
CID 23970606
4-[2-amino-6-[1-(4-chloroanilino)-1-oxopropan-2-yl]sulfanyl-3,5-dicyano-4-pyridinyl]-3-methyloxadiazol-3-ium-5-olate
CID 53295482
3-[2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]propanoylamino]-4-chlorobenzoic acid
CID 23772514
2-[[6-amino-3,5-dicyano-4-(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)-2-pyridinyl]sulfanyl]-N-(4-iodophenyl)propanamide
CID 53295475
3-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide
CID 23973371

Frequently Asked Questions

What is the IUPAC name of 2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(3,4-dichlorophenyl)propanamide?
The IUPAC name of 2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(3,4-dichlorophenyl)propanamide (CID 23942614) is 2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(3,4-dichlorophenyl)propanamide.
What is the SMILES notation for 2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(3,4-dichlorophenyl)propanamide?
The canonical SMILES for 2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(3,4-dichlorophenyl)propanamide is CC(Sc1nc(N)c(C#N)c(-c2ccco2)c1C#N)C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(3,4-dichlorophenyl)propanamide?
The InChIKey is OVLLOQKMTGUXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N5O2S/c1-10(19(28)26-11-4-5-14(21)15(22)7-11)30-20-13(9-24)17(16-3-2-6-29-16)12(8-23)18(25)27-20/h2-7,10H,1H3,(H2,25,27)(H,26,28).
What are the key properties of 2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(3,4-dichlorophenyl)propanamide?
2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(3,4-dichlorophenyl)propanamide has a molecular weight of 458.33 g/mol, XLogP of 5.09, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(3,4-dichlorophenyl)propanamide is sourced from PubChem (CID 23942614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).