5-[(3-methoxyphenyl)methoxy]-1-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide

C20H20N2O4S — CID 42441721

IUPAC5-[(3-methoxyphenyl)methoxy]-1-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
SMILESCOc1cccc(COc2cn(C)c(C(=O)NCc3cccs3)cc2=O)c1
InChIInChI=1S/C20H20N2O4S/c1-22-12-19(26-13-14-5-3-6-15(9-14)25-2)18(23)10-17(22)20(24)21-11-16-7-4-8-27-16/h3-10,12H,11,13H2,1-2H3,(H,21,24)
InChIKeySBCKYMPDFISBTO-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.96
Rot. Bonds7

About 5-[(3-methoxyphenyl)methoxy]-1-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide

5-[(3-methoxyphenyl)methoxy]-1-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 42441721) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 5-[(3-methoxyphenyl)methoxy]-1-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(3-methoxyphenyl)methoxy]-1-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
PubChem CID42441721
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name5-[(3-methoxyphenyl)methoxy]-1-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
SMILESCOc1cccc(COc2cn(C)c(C(=O)NCc3cccs3)cc2=O)c1
InChIInChI=1S/C20H20N2O4S/c1-22-12-19(26-13-14-5-3-6-15(9-14)25-2)18(23)10-17(22)20(24)21-11-16-7-4-8-27-16/h3-10,12H,11,13H2,1-2H3,(H,21,24)
InChIKeySBCKYMPDFISBTO-UHFFFAOYSA-N
XLogP2.96
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyphenyl)methoxy]-1-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-[(3-methoxyphenyl)methoxy]-1-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide (CID 42441721) is 5-[(3-methoxyphenyl)methoxy]-1-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[(3-methoxyphenyl)methoxy]-1-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[(3-methoxyphenyl)methoxy]-1-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide is COc1cccc(COc2cn(C)c(C(=O)NCc3cccs3)cc2=O)c1.
What is the InChIKey of 5-[(3-methoxyphenyl)methoxy]-1-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is SBCKYMPDFISBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-22-12-19(26-13-14-5-3-6-15(9-14)25-2)18(23)10-17(22)20(24)21-11-16-7-4-8-27-16/h3-10,12H,11,13H2,1-2H3,(H,21,24).
What are the key properties of 5-[(3-methoxyphenyl)methoxy]-1-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide?
5-[(3-methoxyphenyl)methoxy]-1-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxyphenyl)methoxy]-1-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 42441721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).