5-cyano-4-(4-ethoxyphenyl)-2-methyl-6-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide

C31H28N4O3S — CID 45032134

IUPAC5-cyano-4-(4-ethoxyphenyl)-2-methyl-6-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide
SMILESCCOc1ccc(-c2c(C#N)c(SCC(=O)Nc3ccccc3C)nc(C)c2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C31H28N4O3S/c1-4-38-24-16-14-22(15-17-24)29-25(18-32)31(39-19-27(36)35-26-13-9-8-10-20(26)2)33-21(3)28(29)30(37)34-23-11-6-5-7-12-23/h5-17H,4,19H2,1-3H3,(H,34,37)(H,35,36)
InChIKeyNPQOSHRCEZCDER-UHFFFAOYSA-N
MW536.66 g/mol
LogP6.62
Rot. Bonds9

About 5-cyano-4-(4-ethoxyphenyl)-2-methyl-6-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide

5-cyano-4-(4-ethoxyphenyl)-2-methyl-6-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide (PubChem CID 45032134) has the molecular formula C31H28N4O3S and a molecular weight of 536.66 g/mol. Its IUPAC name is 5-cyano-4-(4-ethoxyphenyl)-2-methyl-6-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyano-4-(4-ethoxyphenyl)-2-methyl-6-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide
PubChem CID45032134
Molecular FormulaC31H28N4O3S
Molecular Weight536.66 g/mol
Exact Mass536.19
IUPAC Name5-cyano-4-(4-ethoxyphenyl)-2-methyl-6-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide
SMILESCCOc1ccc(-c2c(C#N)c(SCC(=O)Nc3ccccc3C)nc(C)c2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C31H28N4O3S/c1-4-38-24-16-14-22(15-17-24)29-25(18-32)31(39-19-27(36)35-26-13-9-8-10-20(26)2)33-21(3)28(29)30(37)34-23-11-6-5-7-12-23/h5-17H,4,19H2,1-3H3,(H,34,37)(H,35,36)
InChIKeyNPQOSHRCEZCDER-UHFFFAOYSA-N
XLogP6.62
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.66
LogP ≤ 56.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-cyano-4-(4-ethoxyphenyl)-2-methyl-6-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide 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

6-(2-anilino-2-oxoethyl)sulfanyl-5-cyano-4-(4-ethoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide
CID 45032130
5-cyano-4-(4-methoxyphenyl)-2-methyl-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-N-phenylpyridine-3-carboxamide
CID 45032127
2-[[2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetyl]amino]-N-phenylbenzamide
CID 24597687
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-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 707628
ethyl 4-[[2-[[3-cyano-6-(4-ethoxyphenyl)-4-phenyl-2-pyridinyl]sulfanyl]acetyl]amino]benzoate
CID 3166823
ethyl 5-cyano-2-methyl-6-[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]sulfanylpyridine-3-carboxylate
CID 24597686
2-[[5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-2-pyridinyl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 10983220
2-[[3-cyano-6-(4-ethoxyphenyl)-4-phenyl-2-pyridinyl]sulfanyl]-N-(4-methyl-3-nitrophenyl)acetamide
CID 3125953
2-[[3-cyano-6-(4-ethoxyphenyl)-4-phenyl-2-pyridinyl]sulfanyl]-N-(4-nitrophenyl)acetamide
CID 3125947
2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 1285620
2-[4-(4-ethoxyphenyl)phthalazin-1-yl]sulfanyl-N-phenylacetamide
CID 2939528

Frequently Asked Questions

What is the IUPAC name of 5-cyano-4-(4-ethoxyphenyl)-2-methyl-6-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide?
The IUPAC name of 5-cyano-4-(4-ethoxyphenyl)-2-methyl-6-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide (CID 45032134) is 5-cyano-4-(4-ethoxyphenyl)-2-methyl-6-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 5-cyano-4-(4-ethoxyphenyl)-2-methyl-6-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 5-cyano-4-(4-ethoxyphenyl)-2-methyl-6-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide is CCOc1ccc(-c2c(C#N)c(SCC(=O)Nc3ccccc3C)nc(C)c2C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 5-cyano-4-(4-ethoxyphenyl)-2-methyl-6-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide?
The InChIKey is NPQOSHRCEZCDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N4O3S/c1-4-38-24-16-14-22(15-17-24)29-25(18-32)31(39-19-27(36)35-26-13-9-8-10-20(26)2)33-21(3)28(29)30(37)34-23-11-6-5-7-12-23/h5-17H,4,19H2,1-3H3,(H,34,37)(H,35,36).
What are the key properties of 5-cyano-4-(4-ethoxyphenyl)-2-methyl-6-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide?
5-cyano-4-(4-ethoxyphenyl)-2-methyl-6-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide has a molecular weight of 536.66 g/mol, XLogP of 6.62, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-4-(4-ethoxyphenyl)-2-methyl-6-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 45032134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).