2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-(3-methylphenyl)pyridine-3-carboxamide

C24H25N3O3S — CID 23609825

IUPAC2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-(3-methylphenyl)pyridine-3-carboxamide
SMILESCOc1ccccc1NC(=O)CSc1nc(C)cc(C)c1C(=O)Nc1cccc(C)c1
InChIInChI=1S/C24H25N3O3S/c1-15-8-7-9-18(12-15)26-23(29)22-16(2)13-17(3)25-24(22)31-14-21(28)27-19-10-5-6-11-20(19)30-4/h5-13H,14H2,1-4H3,(H,26,29)(H,27,28)
InChIKeyHKCPSZGHEZNVAL-UHFFFAOYSA-N
MW435.55 g/mol
LogP5.00
Rot. Bonds7

About 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-(3-methylphenyl)pyridine-3-carboxamide

2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-(3-methylphenyl)pyridine-3-carboxamide (PubChem CID 23609825) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-(3-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-(3-methylphenyl)pyridine-3-carboxamide
PubChem CID23609825
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC Name2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-(3-methylphenyl)pyridine-3-carboxamide
SMILESCOc1ccccc1NC(=O)CSc1nc(C)cc(C)c1C(=O)Nc1cccc(C)c1
InChIInChI=1S/C24H25N3O3S/c1-15-8-7-9-18(12-15)26-23(29)22-16(2)13-17(3)25-24(22)31-14-21(28)27-19-10-5-6-11-20(19)30-4/h5-13H,14H2,1-4H3,(H,26,29)(H,27,28)
InChIKeyHKCPSZGHEZNVAL-UHFFFAOYSA-N
XLogP5.00
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-phenylpyridine-3-carboxamide
CID 23609729
N-(2-ethoxyphenyl)-4,6-dimethyl-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide
CID 23609909
2-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 23609826
propan-2-yl 2-[[3-[(2-methoxyphenyl)carbamoyl]-4,6-dimethyl-2-pyridinyl]sulfanyl]acetate
CID 23609877
2,6-dimethoxy-N-[3-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 18907954
2-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide
CID 23609883
2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(2-ethoxyphenyl)-4,6-dimethylpyridine-3-carboxamide
CID 23609915
N-(3-chlorophenyl)-4,6-dimethyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide
CID 23609934
N-(2-methoxyphenyl)-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109334921
2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carboxamide
CID 31775871
N-(2-methoxyphenyl)-5-methyl-2-(3-methylanilino)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155925012
N-(2-methoxyphenyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1117444

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-(3-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-(3-methylphenyl)pyridine-3-carboxamide (CID 23609825) is 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-(3-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-(3-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-(3-methylphenyl)pyridine-3-carboxamide is COc1ccccc1NC(=O)CSc1nc(C)cc(C)c1C(=O)Nc1cccc(C)c1.
What is the InChIKey of 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-(3-methylphenyl)pyridine-3-carboxamide?
The InChIKey is HKCPSZGHEZNVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-15-8-7-9-18(12-15)26-23(29)22-16(2)13-17(3)25-24(22)31-14-21(28)27-19-10-5-6-11-20(19)30-4/h5-13H,14H2,1-4H3,(H,26,29)(H,27,28).
What are the key properties of 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-(3-methylphenyl)pyridine-3-carboxamide?
2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-(3-methylphenyl)pyridine-3-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 5.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-(3-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 23609825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).