6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide

C23H20N4O3S — CID 1119224

IUPAC6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide
SMILESCOc1ccc(-c2c(C#N)c(SCC(N)=O)nc(C)c2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H20N4O3S/c1-14-20(22(29)27-16-6-4-3-5-7-16)21(15-8-10-17(30-2)11-9-15)18(12-24)23(26-14)31-13-19(25)28/h3-11H,13H2,1-2H3,(H2,25,28)(H,27,29)
InChIKeyZBFHDLPLOGWCHL-UHFFFAOYSA-N
MW432.51 g/mol
LogP3.77
Rot. Bonds7

About 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide

6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide (PubChem CID 1119224) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide
PubChem CID1119224
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC Name6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide
SMILESCOc1ccc(-c2c(C#N)c(SCC(N)=O)nc(C)c2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H20N4O3S/c1-14-20(22(29)27-16-6-4-3-5-7-16)21(15-8-10-17(30-2)11-9-15)18(12-24)23(26-14)31-13-19(25)28/h3-11H,13H2,1-2H3,(H2,25,28)(H,27,29)
InChIKeyZBFHDLPLOGWCHL-UHFFFAOYSA-N
XLogP3.77
TPSA118.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide with MolForge

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Related Compounds

N-(2-methoxyphenyl)-4,6-dimethyl-2-({2-[(4-methylphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxamide
CID 16014836
2-{[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl}-N,N-diethylacetamide
CID 1239697
Ethyl 3-cyano-6-ethyl-2-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}thio)-5,6,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate
CID 1301937
N-(4-Chlorophenyl)-5-cyano-6-({[(4-ethylphenyl)carbamoyl]methyl}sulfanyl)-4-(4-methoxyphenyl)-2-methylpyridine-3-carboxamide
CID 1600411
2-((3-Cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl)sulfanyl)-N-(3-methylphenyl)acetamide
CID 3725176
2-{[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N-(4-methylphenyl)acetamide
CID 1023309
6-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide
CID 1047166
2-{[3-Cyano-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2-quinolinyl]sulfanyl}acetamide
CID 1049199
5-cyano-4-(4-methoxyphenyl)-2-methyl-6-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-N-phenylpyridine-3-carboxamide
CID 1050499
2-{[3-cyano-6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
CID 1051489
(3-Cyano-6-methyl-4-phenyl-5-phenylcarbamoyl-pyridin-2-ylsulfanyl)-acetic acid benzyl ester
CID 1119227
2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 1541053

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide?
The IUPAC name of 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide (CID 1119224) is 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide is COc1ccc(-c2c(C#N)c(SCC(N)=O)nc(C)c2C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide?
The InChIKey is ZBFHDLPLOGWCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-14-20(22(29)27-16-6-4-3-5-7-16)21(15-8-10-17(30-2)11-9-15)18(12-24)23(26-14)31-13-19(25)28/h3-11H,13H2,1-2H3,(H2,25,28)(H,27,29).
What are the key properties of 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide?
6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide has a molecular weight of 432.51 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 1119224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).