1-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-oxopyridine-3-carboxamide

C22H19N3O3S — CID 7422733

IUPAC1-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-oxopyridine-3-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3cccn(Cc4ccccc4)c3=O)sc2c1
InChIInChI=1S/C22H19N3O3S/c1-2-28-16-10-11-18-19(13-16)29-22(23-18)24-20(26)17-9-6-12-25(21(17)27)14-15-7-4-3-5-8-15/h3-13H,2,14H2,1H3,(H,23,24,26)
InChIKeyVSCREWXEPJSMBJ-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.16
Rot. Bonds6

About 1-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-oxopyridine-3-carboxamide

1-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-oxopyridine-3-carboxamide (PubChem CID 7422733) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is 1-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-oxopyridine-3-carboxamide
PubChem CID7422733
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Name1-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-oxopyridine-3-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3cccn(Cc4ccccc4)c3=O)sc2c1
InChIInChI=1S/C22H19N3O3S/c1-2-28-16-10-11-18-19(13-16)29-22(23-18)24-20(26)17-9-6-12-25(21(17)27)14-15-7-4-3-5-8-15/h3-13H,2,14H2,1H3,(H,23,24,26)
InChIKeyVSCREWXEPJSMBJ-UHFFFAOYSA-N
XLogP4.16
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-oxopyridine-3-carboxamide (CID 7422733) is 1-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-oxopyridine-3-carboxamide is CCOc1ccc2nc(NC(=O)c3cccn(Cc4ccccc4)c3=O)sc2c1.
What is the InChIKey of 1-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-oxopyridine-3-carboxamide?
The InChIKey is VSCREWXEPJSMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-2-28-16-10-11-18-19(13-16)29-22(23-18)24-20(26)17-9-6-12-25(21(17)27)14-15-7-4-3-5-8-15/h3-13H,2,14H2,1H3,(H,23,24,26).
What are the key properties of 1-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-oxopyridine-3-carboxamide?
1-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-oxopyridine-3-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 7422733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).