4,5,6-trimethyl-2-[2-(2-methyl-5-pyridin-4-ylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide

C23H24N4O2S — CID 166182563

IUPAC4,5,6-trimethyl-2-[2-(2-methyl-5-pyridin-4-ylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide
SMILESCc1ccc(-c2ccncc2)cc1NC(=O)CSc1nc(C)c(C)c(C)c1C(N)=O
InChIInChI=1S/C23H24N4O2S/c1-13-5-6-18(17-7-9-25-10-8-17)11-19(13)27-20(28)12-30-23-21(22(24)29)15(3)14(2)16(4)26-23/h5-11H,12H2,1-4H3,(H2,24,29)(H,27,28)
InChIKeyVDLFNWBNWMGVAN-UHFFFAOYSA-N
MW420.54 g/mol
LogP4.21
Rot. Bonds6

About 4,5,6-trimethyl-2-[2-(2-methyl-5-pyridin-4-ylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide

4,5,6-trimethyl-2-[2-(2-methyl-5-pyridin-4-ylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide (PubChem CID 166182563) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is 4,5,6-trimethyl-2-[2-(2-methyl-5-pyridin-4-ylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide.

Molecular Properties

Compound Name4,5,6-trimethyl-2-[2-(2-methyl-5-pyridin-4-ylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide
PubChem CID166182563
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC Name4,5,6-trimethyl-2-[2-(2-methyl-5-pyridin-4-ylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide
SMILESCc1ccc(-c2ccncc2)cc1NC(=O)CSc1nc(C)c(C)c(C)c1C(N)=O
InChIInChI=1S/C23H24N4O2S/c1-13-5-6-18(17-7-9-25-10-8-17)11-19(13)27-20(28)12-30-23-21(22(24)29)15(3)14(2)16(4)26-23/h5-11H,12H2,1-4H3,(H2,24,29)(H,27,28)
InChIKeyVDLFNWBNWMGVAN-UHFFFAOYSA-N
XLogP4.21
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4,5,6-trimethyl-2-[2-(2-methyl-5-pyridin-4-ylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide with MolForge

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Related Compounds

2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carboxamide
CID 31775871
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CID 71934327
4-amino-N-(2-methyl-5-pyridin-4-ylphenyl)pentanamide;dihydrochloride
CID 120565245
N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-pyridin-4-ylsulfanylacetamide
CID 51090247
3-N-(2-methyl-5-pyridin-4-ylphenyl)benzene-1,3-dicarboxamide
CID 134813216
N-(2-methyl-5-pyridin-4-ylphenyl)thiophene-3-carboxamide
CID 122136858
N-(2,5-dimethylphenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3445729
N-[4-methyl-3-[[2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl]cyclopropanecarboxamide
CID 1429718
N-(2,5-dimethylphenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7798293
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide
CID 2603871
N-[2-methyl-5-(4-methylphenyl)phenyl]butanamide
CID 170112868
N-(2,5-dimethylphenyl)-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide
CID 1440391

Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethyl-2-[2-(2-methyl-5-pyridin-4-ylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide?
The IUPAC name of 4,5,6-trimethyl-2-[2-(2-methyl-5-pyridin-4-ylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide (CID 166182563) is 4,5,6-trimethyl-2-[2-(2-methyl-5-pyridin-4-ylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide.
What is the SMILES notation for 4,5,6-trimethyl-2-[2-(2-methyl-5-pyridin-4-ylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide?
The canonical SMILES for 4,5,6-trimethyl-2-[2-(2-methyl-5-pyridin-4-ylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide is Cc1ccc(-c2ccncc2)cc1NC(=O)CSc1nc(C)c(C)c(C)c1C(N)=O.
What is the InChIKey of 4,5,6-trimethyl-2-[2-(2-methyl-5-pyridin-4-ylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide?
The InChIKey is VDLFNWBNWMGVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-13-5-6-18(17-7-9-25-10-8-17)11-19(13)27-20(28)12-30-23-21(22(24)29)15(3)14(2)16(4)26-23/h5-11H,12H2,1-4H3,(H2,24,29)(H,27,28).
What are the key properties of 4,5,6-trimethyl-2-[2-(2-methyl-5-pyridin-4-ylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide?
4,5,6-trimethyl-2-[2-(2-methyl-5-pyridin-4-ylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide has a molecular weight of 420.54 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethyl-2-[2-(2-methyl-5-pyridin-4-ylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide is sourced from PubChem (CID 166182563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).