6-[(2-methoxyphenyl)methyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide

C19H22N2O4S — CID 110090663

IUPAC6-[(2-methoxyphenyl)methyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
SMILESCOc1ccccc1Cc1ccc(C(=O)NC2(C)CCS(=O)(=O)C2)cn1
InChIInChI=1S/C19H22N2O4S/c1-19(9-10-26(23,24)13-19)21-18(22)15-7-8-16(20-12-15)11-14-5-3-4-6-17(14)25-2/h3-8,12H,9-11,13H2,1-2H3,(H,21,22)
InChIKeyYAPUWLYROPTBIS-UHFFFAOYSA-N
MW374.46 g/mol
LogP1.99
Rot. Bonds5

About 6-[(2-methoxyphenyl)methyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide

6-[(2-methoxyphenyl)methyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide (PubChem CID 110090663) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 6-[(2-methoxyphenyl)methyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-methoxyphenyl)methyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
PubChem CID110090663
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name6-[(2-methoxyphenyl)methyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
SMILESCOc1ccccc1Cc1ccc(C(=O)NC2(C)CCS(=O)(=O)C2)cn1
InChIInChI=1S/C19H22N2O4S/c1-19(9-10-26(23,24)13-19)21-18(22)15-7-8-16(20-12-15)11-14-5-3-4-6-17(14)25-2/h3-8,12H,9-11,13H2,1-2H3,(H,21,22)
InChIKeyYAPUWLYROPTBIS-UHFFFAOYSA-N
XLogP1.99
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-6-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 110090624
4-[(2-methoxyphenyl)sulfamoyl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]benzamide
CID 30583256
1-(2-methoxyphenyl)-3-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]thiourea
CID 51414995
1-N,2-N-bis[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzene-1,2-dicarboxamide
CID 2362502
2-(2-acetamidophenoxy)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7867185
5-carbamothioyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide
CID 63748853
2-(2-chlorophenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 18157918
6-(2-ethylimidazol-1-yl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide
CID 125004135
N-[2-(2-methoxyphenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 107261353
5-(aminomethyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide
CID 63722542
4-bromo-2-methoxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 78987530
N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 18081197

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methoxyphenyl)methyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[(2-methoxyphenyl)methyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide (CID 110090663) is 6-[(2-methoxyphenyl)methyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(2-methoxyphenyl)methyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[(2-methoxyphenyl)methyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide is COc1ccccc1Cc1ccc(C(=O)NC2(C)CCS(=O)(=O)C2)cn1.
What is the InChIKey of 6-[(2-methoxyphenyl)methyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide?
The InChIKey is YAPUWLYROPTBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-19(9-10-26(23,24)13-19)21-18(22)15-7-8-16(20-12-15)11-14-5-3-4-6-17(14)25-2/h3-8,12H,9-11,13H2,1-2H3,(H,21,22).
What are the key properties of 6-[(2-methoxyphenyl)methyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide?
6-[(2-methoxyphenyl)methyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methoxyphenyl)methyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 110090663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).