2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-[2-(hydroxymethyl)-6-methyl-4-pyridinyl]pyridine-3-carboxamide

C22H23N3O5S — CID 10741822

IUPAC2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-[2-(hydroxymethyl)-6-methyl-4-pyridinyl]pyridine-3-carboxamide
SMILESCOc1ccc(CS(=O)c2ncccc2C(=O)Nc2cc(C)nc(CO)c2)c(OC)c1
InChIInChI=1S/C22H23N3O5S/c1-14-9-16(10-17(12-26)24-14)25-21(27)19-5-4-8-23-22(19)31(28)13-15-6-7-18(29-2)11-20(15)30-3/h4-11,26H,12-13H2,1-3H3,(H,24,25,27)
InChIKeyDVGDTHIUCLCDJK-UHFFFAOYSA-N
MW441.51 g/mol
LogP2.85
Rot. Bonds8

About 2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-[2-(hydroxymethyl)-6-methyl-4-pyridinyl]pyridine-3-carboxamide

2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-[2-(hydroxymethyl)-6-methyl-4-pyridinyl]pyridine-3-carboxamide (PubChem CID 10741822) has the molecular formula C22H23N3O5S and a molecular weight of 441.51 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-[2-(hydroxymethyl)-6-methyl-4-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-[2-(hydroxymethyl)-6-methyl-4-pyridinyl]pyridine-3-carboxamide
PubChem CID10741822
Molecular FormulaC22H23N3O5S
Molecular Weight441.51 g/mol
Exact Mass441.14
IUPAC Name2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-[2-(hydroxymethyl)-6-methyl-4-pyridinyl]pyridine-3-carboxamide
SMILESCOc1ccc(CS(=O)c2ncccc2C(=O)Nc2cc(C)nc(CO)c2)c(OC)c1
InChIInChI=1S/C22H23N3O5S/c1-14-9-16(10-17(12-26)24-14)25-21(27)19-5-4-8-23-22(19)31(28)13-15-6-7-18(29-2)11-20(15)30-3/h4-11,26H,12-13H2,1-3H3,(H,24,25,27)
InChIKeyDVGDTHIUCLCDJK-UHFFFAOYSA-N
XLogP2.85
TPSA110.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-[2-(methoxymethoxymethyl)-4-pyridinyl]pyridine-3-carboxamide
CID 139795779
[4-[[2-[[2-(3-hydroxypropyl)-4-methoxyphenyl]methylsulfinyl]pyridine-3-carbonyl]amino]-2-pyridinyl]methyl propanoate
CID 139694459
2-[(2,4-dimethoxyphenyl)methylsulfinyl]-6-(dimethylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 139795755
N-(2,4-dimethoxyphenyl)-2-ethoxypyridine-3-carboxamide
CID 2110255
2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)-4-pyridinyl]pyridine-3-carboxamide
CID 10836089
2,5-dimethoxy-N-(2-methyl-4-pyridinyl)benzamide
CID 110761099
2-[(2,4-dimethoxyphenyl)methylamino]-N-methylpyridine-3-carboxamide
CID 133319491
2,4-dimethoxy-N-(3-methyl-2-pyridinyl)benzamide
CID 5163949
2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)-5-methyl-4-pyridinyl]pyridine-3-carboxamide
CID 10717873
2-[[5-chloro-2-(dimethylamino)phenyl]methylsulfinyl]-N-pyridin-4-ylpyridine-3-carboxamide
CID 139694429
2-(2,4-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
CID 37485782
2-benzylsulfinyl-N-(4-iodophenyl)pyridine-3-carboxamide
CID 10411994

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-[2-(hydroxymethyl)-6-methyl-4-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-[2-(hydroxymethyl)-6-methyl-4-pyridinyl]pyridine-3-carboxamide (CID 10741822) is 2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-[2-(hydroxymethyl)-6-methyl-4-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-[2-(hydroxymethyl)-6-methyl-4-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-[2-(hydroxymethyl)-6-methyl-4-pyridinyl]pyridine-3-carboxamide is COc1ccc(CS(=O)c2ncccc2C(=O)Nc2cc(C)nc(CO)c2)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-[2-(hydroxymethyl)-6-methyl-4-pyridinyl]pyridine-3-carboxamide?
The InChIKey is DVGDTHIUCLCDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S/c1-14-9-16(10-17(12-26)24-14)25-21(27)19-5-4-8-23-22(19)31(28)13-15-6-7-18(29-2)11-20(15)30-3/h4-11,26H,12-13H2,1-3H3,(H,24,25,27).
What are the key properties of 2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-[2-(hydroxymethyl)-6-methyl-4-pyridinyl]pyridine-3-carboxamide?
2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-[2-(hydroxymethyl)-6-methyl-4-pyridinyl]pyridine-3-carboxamide has a molecular weight of 441.51 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-[2-(hydroxymethyl)-6-methyl-4-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 10741822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).