N-(4-methyl-1,3-benzothiazol-2-yl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide

C21H17N3O2S — CID 55754514

IUPACN-(4-methyl-1,3-benzothiazol-2-yl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cccc(-c2ccc(C(=O)Nc3nc4c(C)cccc4s3)c(=O)[nH]2)c1
InChIInChI=1S/C21H17N3O2S/c1-12-5-3-7-14(11-12)16-10-9-15(19(25)22-16)20(26)24-21-23-18-13(2)6-4-8-17(18)27-21/h3-11H,1-2H3,(H,22,25)(H,23,24,26)
InChIKeyKTXVFACBFIYFEY-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.52
Rot. Bonds3

About N-(4-methyl-1,3-benzothiazol-2-yl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide

N-(4-methyl-1,3-benzothiazol-2-yl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 55754514) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-(4-methyl-1,3-benzothiazol-2-yl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-benzothiazol-2-yl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID55754514
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC NameN-(4-methyl-1,3-benzothiazol-2-yl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cccc(-c2ccc(C(=O)Nc3nc4c(C)cccc4s3)c(=O)[nH]2)c1
InChIInChI=1S/C21H17N3O2S/c1-12-5-3-7-14(11-12)16-10-9-15(19(25)22-16)20(26)24-21-23-18-13(2)6-4-8-17(18)27-21/h3-11H,1-2H3,(H,22,25)(H,23,24,26)
InChIKeyKTXVFACBFIYFEY-UHFFFAOYSA-N
XLogP4.52
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-benzothiazol-2-yl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(4-methyl-1,3-benzothiazol-2-yl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide (CID 55754514) is N-(4-methyl-1,3-benzothiazol-2-yl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-benzothiazol-2-yl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-benzothiazol-2-yl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide is Cc1cccc(-c2ccc(C(=O)Nc3nc4c(C)cccc4s3)c(=O)[nH]2)c1.
What is the InChIKey of N-(4-methyl-1,3-benzothiazol-2-yl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is KTXVFACBFIYFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c1-12-5-3-7-14(11-12)16-10-9-15(19(25)22-16)20(26)24-21-23-18-13(2)6-4-8-17(18)27-21/h3-11H,1-2H3,(H,22,25)(H,23,24,26).
What are the key properties of N-(4-methyl-1,3-benzothiazol-2-yl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
N-(4-methyl-1,3-benzothiazol-2-yl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 4.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-benzothiazol-2-yl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 55754514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).