N-(1,3-benzothiazol-2-yl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide

C22H19N3O2S — CID 7598690

IUPACN-(1,3-benzothiazol-2-yl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCc1ccc(C)c(Cn2cccc(C(=O)Nc3nc4ccccc4s3)c2=O)c1
InChIInChI=1S/C22H19N3O2S/c1-14-9-10-15(2)16(12-14)13-25-11-5-6-17(21(25)27)20(26)24-22-23-18-7-3-4-8-19(18)28-22/h3-12H,13H2,1-2H3,(H,23,24,26)
InChIKeyHCKGBRIGYKLBDR-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.38
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide

N-(1,3-benzothiazol-2-yl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 7598690) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID7598690
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC NameN-(1,3-benzothiazol-2-yl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCc1ccc(C)c(Cn2cccc(C(=O)Nc3nc4ccccc4s3)c2=O)c1
InChIInChI=1S/C22H19N3O2S/c1-14-9-10-15(2)16(12-14)13-25-11-5-6-17(21(25)27)20(26)24-22-23-18-7-3-4-8-19(18)28-22/h3-12H,13H2,1-2H3,(H,23,24,26)
InChIKeyHCKGBRIGYKLBDR-UHFFFAOYSA-N
XLogP4.38
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethylphenyl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598638
N-(1,3-benzothiazol-2-yl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599139
1-[(2,5-dimethylphenyl)methyl]-N-(6-methyl-2-pyridinyl)-2-oxopyridine-3-carboxamide
CID 7598678
1-[(3-fluorophenyl)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopyridine-3-carboxamide
CID 7597651
N-(6-methyl-1,3-benzothiazol-2-yl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 50806855
N-(2,5-dimethylphenyl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7597915
N-(1,3-benzothiazol-2-yl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599269
1-[(2-chlorophenyl)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-2-oxopyridine-3-carboxamide
CID 7598552
N-(6-methyl-1,3-benzothiazol-2-yl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 16803770
N-(4-carbamoylphenyl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598720
1-[(2,5-dimethylphenyl)methyl]-2-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide
CID 7598626
1-[(2,5-dimethylphenyl)methyl]-N-(4-ethoxyphenyl)-2-oxopyridine-3-carboxamide
CID 7598610

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide (CID 7598690) is N-(1,3-benzothiazol-2-yl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide is Cc1ccc(C)c(Cn2cccc(C(=O)Nc3nc4ccccc4s3)c2=O)c1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is HCKGBRIGYKLBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-14-9-10-15(2)16(12-14)13-25-11-5-6-17(21(25)27)20(26)24-22-23-18-7-3-4-8-19(18)28-22/h3-12H,13H2,1-2H3,(H,23,24,26).
What are the key properties of N-(1,3-benzothiazol-2-yl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide?
N-(1,3-benzothiazol-2-yl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 7598690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).