5-cyano-6-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-N,2-dimethylpyridine-3-carboxamide

C23H22N4O3S — CID 2537904

IUPAC5-cyano-6-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-N,2-dimethylpyridine-3-carboxamide
SMILESCNC(=O)c1c(C)nc(SCC(=O)Nc2ccc(C)c(C)c2)c(C#N)c1-c1ccco1
InChIInChI=1S/C23H22N4O3S/c1-13-7-8-16(10-14(13)2)27-19(28)12-31-23-17(11-24)21(18-6-5-9-30-18)20(15(3)26-23)22(29)25-4/h5-10H,12H2,1-4H3,(H,25,29)(H,27,28)
InChIKeyBJEKULQWNGRBRN-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.23
Rot. Bonds6

About 5-cyano-6-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-N,2-dimethylpyridine-3-carboxamide

5-cyano-6-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-N,2-dimethylpyridine-3-carboxamide (PubChem CID 2537904) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is 5-cyano-6-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-N,2-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyano-6-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-N,2-dimethylpyridine-3-carboxamide
PubChem CID2537904
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC Name5-cyano-6-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-N,2-dimethylpyridine-3-carboxamide
SMILESCNC(=O)c1c(C)nc(SCC(=O)Nc2ccc(C)c(C)c2)c(C#N)c1-c1ccco1
InChIInChI=1S/C23H22N4O3S/c1-13-7-8-16(10-14(13)2)27-19(28)12-31-23-17(11-24)21(18-6-5-9-30-18)20(15(3)26-23)22(29)25-4/h5-10H,12H2,1-4H3,(H,25,29)(H,27,28)
InChIKeyBJEKULQWNGRBRN-UHFFFAOYSA-N
XLogP4.23
TPSA108.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-cyano-6-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-N,2-dimethylpyridine-3-carboxamide with MolForge

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Related Compounds

[2-(3,4-dimethylanilino)-2-oxoethyl] 2-[[3-cyano-4-(furan-2-yl)-6-methyl-5-(methylcarbamoyl)-2-pyridinyl]sulfanyl]acetate
CID 2537900
2-[[3-cyano-4-(furan-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
CID 1042857
2-[[3-cyano-4-(furan-2-yl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide
CID 23475995
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 707628
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 33227575
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3-cyanophenyl)acetamide
CID 33227721
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(4-fluoro-3-nitrophenyl)acetamide
CID 7491646
2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 25048887
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3-methoxyphenyl)acetamide
CID 33227599
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 24631033
6-(2-anilino-2-oxoethyl)sulfanyl-5-cyano-4-(4-ethoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide
CID 45032130
N-(4-chlorophenyl)-2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanylacetamide
CID 33227919

Frequently Asked Questions

What is the IUPAC name of 5-cyano-6-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-N,2-dimethylpyridine-3-carboxamide?
The IUPAC name of 5-cyano-6-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-N,2-dimethylpyridine-3-carboxamide (CID 2537904) is 5-cyano-6-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-N,2-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 5-cyano-6-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-N,2-dimethylpyridine-3-carboxamide?
The canonical SMILES for 5-cyano-6-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-N,2-dimethylpyridine-3-carboxamide is CNC(=O)c1c(C)nc(SCC(=O)Nc2ccc(C)c(C)c2)c(C#N)c1-c1ccco1.
What is the InChIKey of 5-cyano-6-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-N,2-dimethylpyridine-3-carboxamide?
The InChIKey is BJEKULQWNGRBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-13-7-8-16(10-14(13)2)27-19(28)12-31-23-17(11-24)21(18-6-5-9-30-18)20(15(3)26-23)22(29)25-4/h5-10H,12H2,1-4H3,(H,25,29)(H,27,28).
What are the key properties of 5-cyano-6-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-N,2-dimethylpyridine-3-carboxamide?
5-cyano-6-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-N,2-dimethylpyridine-3-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-6-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-N,2-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 2537904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).