N-(3,5-dimethoxyphenyl)-2-methylsulfanylpyridine-3-carboxamide

C15H16N2O3S — CID 2128437

IUPACN-(3,5-dimethoxyphenyl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cccnc2SC)cc(OC)c1
InChIInChI=1S/C15H16N2O3S/c1-19-11-7-10(8-12(9-11)20-2)17-14(18)13-5-4-6-16-15(13)21-3/h4-9H,1-3H3,(H,17,18)
InChIKeyRADIBKUYCROJNH-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.07
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-2-methylsulfanylpyridine-3-carboxamide

N-(3,5-dimethoxyphenyl)-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 2128437) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-methylsulfanylpyridine-3-carboxamide
PubChem CID2128437
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-(3,5-dimethoxyphenyl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cccnc2SC)cc(OC)c1
InChIInChI=1S/C15H16N2O3S/c1-19-11-7-10(8-12(9-11)20-2)17-14(18)13-5-4-6-16-15(13)21-3/h4-9H,1-3H3,(H,17,18)
InChIKeyRADIBKUYCROJNH-UHFFFAOYSA-N
XLogP3.07
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 668900
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N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 2093193
N-(1,3-benzodioxol-5-yl)-2-methylsulfanylpyridine-3-carboxamide
CID 2438676
N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 668899
2-[(2,5-Dimethoxy-phenylcarbamoyl)-methylsulfanyl]-nicotinic acid
CID 652069
2-[(2,5-dimethoxyphenyl)amino]-4H-pyrido[3,2-e][1,3]thiazin-4-one
CID 973898
2-(2,4-Dimethoxy-phenylmethanesulfinyl)-N-pyridin-4-yl-nicotinamide
CID 10386097
2-(pyridin-4-ylmethylsulfanyl)-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 10453929
N-(3-methoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 23093844
N-(4-methoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 23093961
2-({[(3,4-Dimethoxyphenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylic acid
CID 757776

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-methylsulfanylpyridine-3-carboxamide (CID 2128437) is N-(3,5-dimethoxyphenyl)-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-methylsulfanylpyridine-3-carboxamide is COc1cc(NC(=O)c2cccnc2SC)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is RADIBKUYCROJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-19-11-7-10(8-12(9-11)20-2)17-14(18)13-5-4-6-16-15(13)21-3/h4-9H,1-3H3,(H,17,18).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-methylsulfanylpyridine-3-carboxamide?
N-(3,5-dimethoxyphenyl)-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 304.37 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 2128437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).