2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)-5-methyl-4-pyridinyl]pyridine-3-carboxamide

C23H26N4O3S — CID 10717873

IUPAC2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)-5-methyl-4-pyridinyl]pyridine-3-carboxamide
SMILESCOc1ccc(CSc2ncccc2C(=O)Nc2cc(N(C)C)ncc2C)c(OC)c1
InChIInChI=1S/C23H26N4O3S/c1-15-13-25-21(27(2)3)12-19(15)26-22(28)18-7-6-10-24-23(18)31-14-16-8-9-17(29-4)11-20(16)30-5/h6-13H,14H2,1-5H3,(H,25,26,28)
InChIKeyMIYICQDTHITJMO-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.41
Rot. Bonds8

About 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)-5-methyl-4-pyridinyl]pyridine-3-carboxamide

2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)-5-methyl-4-pyridinyl]pyridine-3-carboxamide (PubChem CID 10717873) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)-5-methyl-4-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)-5-methyl-4-pyridinyl]pyridine-3-carboxamide
PubChem CID10717873
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC Name2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)-5-methyl-4-pyridinyl]pyridine-3-carboxamide
SMILESCOc1ccc(CSc2ncccc2C(=O)Nc2cc(N(C)C)ncc2C)c(OC)c1
InChIInChI=1S/C23H26N4O3S/c1-15-13-25-21(27(2)3)12-19(15)26-22(28)18-7-6-10-24-23(18)31-14-16-8-9-17(29-4)11-20(16)30-5/h6-13H,14H2,1-5H3,(H,25,26,28)
InChIKeyMIYICQDTHITJMO-UHFFFAOYSA-N
XLogP4.41
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)-4-pyridinyl]pyridine-3-carboxamide
CID 10836089
2-benzylsulfanyl-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 10339739
2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(4-oxopiperidin-1-yl)-4-pyridinyl]pyridine-3-carboxamide
CID 139795793
N-(3,4-dimethoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]pyridine-3-carboxamide
CID 3375303
N-(3,5-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 27667349
N-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 4882766
N-(2,4-dimethoxyphenyl)-2-ethoxypyridine-3-carboxamide
CID 2110255
2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 43009912
2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 67160270
2,4-dimethoxy-N-(3-methyl-2-pyridinyl)benzamide
CID 5163949
2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-(dimethylamino)-N-[2-(4-hydroxypiperidin-1-yl)-4-pyridinyl]pyridine-3-carboxamide
CID 10506230
N-(2,5-dimethylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 17427830

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)-5-methyl-4-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)-5-methyl-4-pyridinyl]pyridine-3-carboxamide (CID 10717873) is 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)-5-methyl-4-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)-5-methyl-4-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)-5-methyl-4-pyridinyl]pyridine-3-carboxamide is COc1ccc(CSc2ncccc2C(=O)Nc2cc(N(C)C)ncc2C)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)-5-methyl-4-pyridinyl]pyridine-3-carboxamide?
The InChIKey is MIYICQDTHITJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-15-13-25-21(27(2)3)12-19(15)26-22(28)18-7-6-10-24-23(18)31-14-16-8-9-17(29-4)11-20(16)30-5/h6-13H,14H2,1-5H3,(H,25,26,28).
What are the key properties of 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)-5-methyl-4-pyridinyl]pyridine-3-carboxamide?
2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)-5-methyl-4-pyridinyl]pyridine-3-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)-5-methyl-4-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 10717873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).