N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide

C23H21N3O3S — CID 7597971

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3cccn(Cc4ccccc4C)c3=O)sc2c1
InChIInChI=1S/C23H21N3O3S/c1-3-29-17-10-11-19-20(13-17)30-23(24-19)25-21(27)18-9-6-12-26(22(18)28)14-16-8-5-4-7-15(16)2/h4-13H,3,14H2,1-2H3,(H,24,25,27)
InChIKeyPJSGWGLUDXLFIZ-UHFFFAOYSA-N
MW419.51 g/mol
LogP4.47
Rot. Bonds6

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 7597971) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID7597971
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3cccn(Cc4ccccc4C)c3=O)sc2c1
InChIInChI=1S/C23H21N3O3S/c1-3-29-17-10-11-19-20(13-17)30-23(24-19)25-21(27)18-9-6-12-26(22(18)28)14-16-8-5-4-7-15(16)2/h4-13H,3,14H2,1-2H3,(H,24,25,27)
InChIKeyPJSGWGLUDXLFIZ-UHFFFAOYSA-N
XLogP4.47
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide (CID 7597971) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide is CCOc1ccc2nc(NC(=O)c3cccn(Cc4ccccc4C)c3=O)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is PJSGWGLUDXLFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-3-29-17-10-11-19-20(13-17)30-23(24-19)25-21(27)18-9-6-12-26(22(18)28)14-16-8-5-4-7-15(16)2/h4-13H,3,14H2,1-2H3,(H,24,25,27).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 419.51 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 7597971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).