N-(3,4-dimethoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]pyridine-3-carboxamide

C22H22N2O3S — CID 3375303

IUPACN-(3,4-dimethoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2SCc2ccccc2C)cc1OC
InChIInChI=1S/C22H22N2O3S/c1-15-7-4-5-8-16(15)14-28-22-18(9-6-12-23-22)21(25)24-17-10-11-19(26-2)20(13-17)27-3/h4-13H,14H2,1-3H3,(H,24,25)
InChIKeyOIZNKRNNODKYQI-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.95
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]pyridine-3-carboxamide

N-(3,4-dimethoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]pyridine-3-carboxamide (PubChem CID 3375303) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]pyridine-3-carboxamide
PubChem CID3375303
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2SCc2ccccc2C)cc1OC
InChIInChI=1S/C22H22N2O3S/c1-15-7-4-5-8-16(15)14-28-22-18(9-6-12-23-22)21(25)24-17-10-11-19(26-2)20(13-17)27-3/h4-13H,14H2,1-3H3,(H,24,25)
InChIKeyOIZNKRNNODKYQI-UHFFFAOYSA-N
XLogP4.95
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-methoxypyridine-3-carboxamide
CID 84580737
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide
CID 3519219
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyridine-3-carboxamide
CID 38629316
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 55783973
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 38627291
2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)-4-pyridinyl]pyridine-3-carboxamide
CID 10836089
N-(3,4-dimethoxyphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
CID 51246259
N-(3,4-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxamide
CID 38898343
2-benzylsulfanyl-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 10339739
N'-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 7585276
N-(3,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 18105958
N-(4-hydroxy-3,5-dimethylphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 11846726

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]pyridine-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]pyridine-3-carboxamide (CID 3375303) is N-(3,4-dimethoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]pyridine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]pyridine-3-carboxamide is COc1ccc(NC(=O)c2cccnc2SCc2ccccc2C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]pyridine-3-carboxamide?
The InChIKey is OIZNKRNNODKYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-15-7-4-5-8-16(15)14-28-22-18(9-6-12-23-22)21(25)24-17-10-11-19(26-2)20(13-17)27-3/h4-13H,14H2,1-3H3,(H,24,25).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]pyridine-3-carboxamide?
N-(3,4-dimethoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]pyridine-3-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]pyridine-3-carboxamide is sourced from PubChem (CID 3375303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).