N-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide

C22H22N2O3S — CID 4882766

IUPACN-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cccnc2Sc2cc(C)ccc2C)c1
InChIInChI=1S/C22H22N2O3S/c1-14-7-8-15(2)20(12-14)28-22-17(6-5-11-23-22)21(25)24-18-13-16(26-3)9-10-19(18)27-4/h5-13H,1-4H3,(H,24,25)
InChIKeyMXIKDWDKGJSFFQ-UHFFFAOYSA-N
MW394.50 g/mol
LogP5.12
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide

N-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide (PubChem CID 4882766) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide
PubChem CID4882766
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cccnc2Sc2cc(C)ccc2C)c1
InChIInChI=1S/C22H22N2O3S/c1-14-7-8-15(2)20(12-14)28-22-17(6-5-11-23-22)21(25)24-18-13-16(26-3)9-10-19(18)27-4/h5-13H,1-4H3,(H,24,25)
InChIKeyMXIKDWDKGJSFFQ-UHFFFAOYSA-N
XLogP5.12
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.50
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzylsulfanyl-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 10339739
2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 44775648
N-(2,5-dimethoxyphenyl)-2-methylsulfanylbenzamide
CID 966884
N-(2,5-dimethoxyphenyl)-2-(5-methylthiophen-2-yl)pyridine-3-carboxamide
CID 46388701
N-(2-benzamidoethyl)-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 38196668
methyl 3-[[2-(2,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]amino]propanoate
CID 4791741
2-ethoxy-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 7962641
2-(2,5-dimethylphenyl)sulfanyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 24628486
2-fluoro-N-(4-methoxy-2-methylphenyl)pyridine-3-carboxamide
CID 114037696
2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 43009912
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 2572664
N-(2,5-dimethoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 17355355

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide (CID 4882766) is N-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide is COc1ccc(OC)c(NC(=O)c2cccnc2Sc2cc(C)ccc2C)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide?
The InChIKey is MXIKDWDKGJSFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-14-7-8-15(2)20(12-14)28-22-17(6-5-11-23-22)21(25)24-18-13-16(26-3)9-10-19(18)27-4/h5-13H,1-4H3,(H,24,25).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide?
N-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide is sourced from PubChem (CID 4882766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).