5-cyano-4-(furan-2-yl)-N-(furan-2-ylmethyl)-2-methyl-6-phenacylsulfanylpyridine-3-carboxamide

C25H19N3O4S — CID 664147

IUPAC5-cyano-4-(furan-2-yl)-N-(furan-2-ylmethyl)-2-methyl-6-phenacylsulfanylpyridine-3-carboxamide
SMILESCc1nc(SCC(=O)c2ccccc2)c(C#N)c(-c2ccco2)c1C(=O)NCc1ccco1
InChIInChI=1S/C25H19N3O4S/c1-16-22(24(30)27-14-18-9-5-11-31-18)23(21-10-6-12-32-21)19(13-26)25(28-16)33-15-20(29)17-7-3-2-4-8-17/h2-12H,14-15H2,1H3,(H,27,30)
InChIKeyJIABFYTVMURUGS-UHFFFAOYSA-N
MW457.51 g/mol
LogP5.02
Rot. Bonds8

About 5-cyano-4-(furan-2-yl)-N-(furan-2-ylmethyl)-2-methyl-6-phenacylsulfanylpyridine-3-carboxamide

5-cyano-4-(furan-2-yl)-N-(furan-2-ylmethyl)-2-methyl-6-phenacylsulfanylpyridine-3-carboxamide (PubChem CID 664147) has the molecular formula C25H19N3O4S and a molecular weight of 457.51 g/mol. Its IUPAC name is 5-cyano-4-(furan-2-yl)-N-(furan-2-ylmethyl)-2-methyl-6-phenacylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyano-4-(furan-2-yl)-N-(furan-2-ylmethyl)-2-methyl-6-phenacylsulfanylpyridine-3-carboxamide
PubChem CID664147
Molecular FormulaC25H19N3O4S
Molecular Weight457.51 g/mol
Exact Mass457.11
IUPAC Name5-cyano-4-(furan-2-yl)-N-(furan-2-ylmethyl)-2-methyl-6-phenacylsulfanylpyridine-3-carboxamide
SMILESCc1nc(SCC(=O)c2ccccc2)c(C#N)c(-c2ccco2)c1C(=O)NCc1ccco1
InChIInChI=1S/C25H19N3O4S/c1-16-22(24(30)27-14-18-9-5-11-31-18)23(21-10-6-12-32-21)19(13-26)25(28-16)33-15-20(29)17-7-3-2-4-8-17/h2-12H,14-15H2,1H3,(H,27,30)
InChIKeyJIABFYTVMURUGS-UHFFFAOYSA-N
XLogP5.02
TPSA109.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.51
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-cyano-4-(furan-2-yl)-N-(furan-2-ylmethyl)-2-methyl-6-phenacylsulfanylpyridine-3-carboxamide with MolForge

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Related Compounds

2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]thio}-N-(2-furylmethyl)acetamide
CID 672043
2-[3-cyano-6-(4-methoxyphenyl)-4-thiophen-2-ylpyridin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 644742
2-(3-Cyano-7-methyl-quinolin-2-ylsulfanyl)-N-furan-2-ylmethyl-acetamide
CID 651442
2-Methoxyethyl 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-(4-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate
CID 661529
2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]thio]-N-(2-furanylmethyl)acetamide
CID 1004339
2-[[3-cyano-6-(2-furanyl)-4-(trifluoromethyl)-2-pyridinyl]thio]-N,N-diethylacetamide
CID 1086432
2-{[3-Cyano-5-(dimethylcarbamoyl)-4-(furan-2-yl)-6-methylpyridin-2-yl]sulfanyl}acetic acid
CID 2466736
2-(3-Cyano-6-methyl-quinolin-2-ylsulfanyl)-N-furan-2-ylmethyl-acetamide
CID 654954
2-Methoxyethyl 5-cyano-4-(furan-2-yl)-6-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-2-methylpyridine-3-carboxylate
CID 661563
5-cyano-4-(furan-2-yl)-2-methyl-6-methylsulfanyl-N-phenylpyridine-3-carboxamide
CID 671628
2-{[3-cyano-6-(3-methoxyphenyl)-2-pyridinyl]sulfanyl}-N-(2-furylmethyl)acetamide
CID 1086373
5-cyano-4-(furan-2-yl)-6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]sulfanyl-N,2-dimethylpyridine-3-carboxamide
CID 2542787

Frequently Asked Questions

What is the IUPAC name of 5-cyano-4-(furan-2-yl)-N-(furan-2-ylmethyl)-2-methyl-6-phenacylsulfanylpyridine-3-carboxamide?
The IUPAC name of 5-cyano-4-(furan-2-yl)-N-(furan-2-ylmethyl)-2-methyl-6-phenacylsulfanylpyridine-3-carboxamide (CID 664147) is 5-cyano-4-(furan-2-yl)-N-(furan-2-ylmethyl)-2-methyl-6-phenacylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for 5-cyano-4-(furan-2-yl)-N-(furan-2-ylmethyl)-2-methyl-6-phenacylsulfanylpyridine-3-carboxamide?
The canonical SMILES for 5-cyano-4-(furan-2-yl)-N-(furan-2-ylmethyl)-2-methyl-6-phenacylsulfanylpyridine-3-carboxamide is Cc1nc(SCC(=O)c2ccccc2)c(C#N)c(-c2ccco2)c1C(=O)NCc1ccco1.
What is the InChIKey of 5-cyano-4-(furan-2-yl)-N-(furan-2-ylmethyl)-2-methyl-6-phenacylsulfanylpyridine-3-carboxamide?
The InChIKey is JIABFYTVMURUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O4S/c1-16-22(24(30)27-14-18-9-5-11-31-18)23(21-10-6-12-32-21)19(13-26)25(28-16)33-15-20(29)17-7-3-2-4-8-17/h2-12H,14-15H2,1H3,(H,27,30).
What are the key properties of 5-cyano-4-(furan-2-yl)-N-(furan-2-ylmethyl)-2-methyl-6-phenacylsulfanylpyridine-3-carboxamide?
5-cyano-4-(furan-2-yl)-N-(furan-2-ylmethyl)-2-methyl-6-phenacylsulfanylpyridine-3-carboxamide has a molecular weight of 457.51 g/mol, XLogP of 5.02, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-4-(furan-2-yl)-N-(furan-2-ylmethyl)-2-methyl-6-phenacylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 664147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).