N-(1,3-benzothiazol-6-yl)-3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylbenzamide

C25H20N4O2S — CID 59212370

IUPACN-(1,3-benzothiazol-6-yl)-3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylbenzamide
SMILESCc1cc2c(cn1)cc(-c1cc(C(=O)Nc3ccc4ncsc4c3)ccc1C)c(=O)n2C
InChIInChI=1S/C25H20N4O2S/c1-14-4-5-16(24(30)28-18-6-7-21-23(11-18)32-13-27-21)9-19(14)20-10-17-12-26-15(2)8-22(17)29(3)25(20)31/h4-13H,1-3H3,(H,28,30)
InChIKeyOZDTVADSAAGSFZ-UHFFFAOYSA-N
MW440.53 g/mol
LogP5.08
Rot. Bonds3

About N-(1,3-benzothiazol-6-yl)-3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylbenzamide

N-(1,3-benzothiazol-6-yl)-3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylbenzamide (PubChem CID 59212370) has the molecular formula C25H20N4O2S and a molecular weight of 440.53 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)-3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)-3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylbenzamide
PubChem CID59212370
Molecular FormulaC25H20N4O2S
Molecular Weight440.53 g/mol
Exact Mass440.13
IUPAC NameN-(1,3-benzothiazol-6-yl)-3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylbenzamide
SMILESCc1cc2c(cn1)cc(-c1cc(C(=O)Nc3ccc4ncsc4c3)ccc1C)c(=O)n2C
InChIInChI=1S/C25H20N4O2S/c1-14-4-5-16(24(30)28-18-6-7-21-23(11-18)32-13-27-21)9-19(14)20-10-17-12-26-15(2)8-22(17)29(3)25(20)31/h4-13H,1-3H3,(H,28,30)
InChIKeyOZDTVADSAAGSFZ-UHFFFAOYSA-N
XLogP5.08
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.53
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,4-dimethylbenzamide
CID 59212337
3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methyl-N-(6-methyl-3-pyridinyl)benzamide
CID 59212346
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-methylthiophene-2-carboxamide
CID 59212300
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,3,4,5-tetramethylpyrrole-2-carboxamide
CID 24954166
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]pyridine-2-carboxamide
CID 59212447
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4H-imidazole-2-carboxamide
CID 163459698
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,3-oxazole-4-carboxamide
CID 24951699
3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-N-(6-ethyl-2-pyridinyl)-4-methylbenzamide
CID 59212540
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2,5-dimethylfuran-3-carboxamide
CID 59212401
4-cyano-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,5-dimethylpyrrole-2-carboxamide
CID 24953829
N-(1,3-benzothiazol-6-yl)-3-hydroxy-4-methylbenzamide
CID 103956522
3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]benzamide
CID 59212305

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-6-yl)-3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylbenzamide?
The IUPAC name of N-(1,3-benzothiazol-6-yl)-3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylbenzamide (CID 59212370) is N-(1,3-benzothiazol-6-yl)-3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylbenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)-3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylbenzamide?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)-3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylbenzamide is Cc1cc2c(cn1)cc(-c1cc(C(=O)Nc3ccc4ncsc4c3)ccc1C)c(=O)n2C.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)-3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylbenzamide?
The InChIKey is OZDTVADSAAGSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2S/c1-14-4-5-16(24(30)28-18-6-7-21-23(11-18)32-13-27-21)9-19(14)20-10-17-12-26-15(2)8-22(17)29(3)25(20)31/h4-13H,1-3H3,(H,28,30).
What are the key properties of N-(1,3-benzothiazol-6-yl)-3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylbenzamide?
N-(1,3-benzothiazol-6-yl)-3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylbenzamide has a molecular weight of 440.53 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-6-yl)-3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylbenzamide is sourced from PubChem (CID 59212370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).