2-methylsulfanyl-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide

C16H18N2O4S — CID 2437809

IUPAC2-methylsulfanyl-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cccnc2SC)cc(OC)c1OC
InChIInChI=1S/C16H18N2O4S/c1-20-12-8-10(9-13(21-2)14(12)22-3)18-15(19)11-6-5-7-17-16(11)23-4/h5-9H,1-4H3,(H,18,19)
InChIKeyLVFHNJNALHLGMW-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.08
Rot. Bonds6

About 2-methylsulfanyl-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide

2-methylsulfanyl-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide (PubChem CID 2437809) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
PubChem CID2437809
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name2-methylsulfanyl-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cccnc2SC)cc(OC)c1OC
InChIInChI=1S/C16H18N2O4S/c1-20-12-8-10(9-13(21-2)14(12)22-3)18-15(19)11-6-5-7-17-16(11)23-4/h5-9H,1-4H3,(H,18,19)
InChIKeyLVFHNJNALHLGMW-UHFFFAOYSA-N
XLogP3.08
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methylsulfanyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 2083057
[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 2433772
N-(1,3-benzodioxol-5-yl)-2-methylsulfanylpyridine-3-carboxamide
CID 2438676
2-[N-ethyl-N-(3,4-methylenedioxyphenyl)amino]-4H-pyrido[3,2-e]-1,3-thiazin-4-one
CID 9840343
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
Ethyl 2-({5-[(4-methoxyanilino)carbonyl]-2-pyridinyl}sulfanyl)acetate
CID 1486211
Propan-2-YL 2-({[(3,5-dimethoxyphenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylate
CID 4296367
2-[[2-(3,4-Dimethoxyanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid propan-2-yl ester
CID 4296370
2-({2-[(2,4-dimethoxyphenyl)amino]-2-oxoethyl}thio)-N-octylnicotinamide
CID 12004903
2-Methyl-5-oxo-6-[(thiophen-2-YL)methyl]-N-(3,4,5-trimethoxyphenyl)-5,6-dihydro-1,6-naphthyridine-3-carboxamide
CID 16027009

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-methylsulfanyl-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide (CID 2437809) is 2-methylsulfanyl-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-methylsulfanyl-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-methylsulfanyl-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide is COc1cc(NC(=O)c2cccnc2SC)cc(OC)c1OC.
What is the InChIKey of 2-methylsulfanyl-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is LVFHNJNALHLGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-20-12-8-10(9-13(21-2)14(12)22-3)18-15(19)11-6-5-7-17-16(11)23-4/h5-9H,1-4H3,(H,18,19).
What are the key properties of 2-methylsulfanyl-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
2-methylsulfanyl-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 2437809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).