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

C20H14ClN3O2S — CID 7599139

IUPACN-(1,3-benzothiazol-2-yl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1cccn(Cc2cccc(Cl)c2)c1=O
InChIInChI=1S/C20H14ClN3O2S/c21-14-6-3-5-13(11-14)12-24-10-4-7-15(19(24)26)18(25)23-20-22-16-8-1-2-9-17(16)27-20/h1-11H,12H2,(H,22,23,25)
InChIKeyAJIKATMTNAQCMM-UHFFFAOYSA-N
MW395.87 g/mol
LogP4.41
Rot. Bonds4

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

N-(1,3-benzothiazol-2-yl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 7599139) has the molecular formula C20H14ClN3O2S and a molecular weight of 395.87 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID7599139
Molecular FormulaC20H14ClN3O2S
Molecular Weight395.87 g/mol
Exact Mass395.05
IUPAC NameN-(1,3-benzothiazol-2-yl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1cccn(Cc2cccc(Cl)c2)c1=O
InChIInChI=1S/C20H14ClN3O2S/c21-14-6-3-5-13(11-14)12-24-10-4-7-15(19(24)26)18(25)23-20-22-16-8-1-2-9-17(16)27-20/h1-11H,12H2,(H,22,23,25)
InChIKeyAJIKATMTNAQCMM-UHFFFAOYSA-N
XLogP4.41
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.87
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzothiazol-2-yl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzothiazol-2-yl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599269
1-[(3-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)-2-oxopyridine-3-carboxamide
CID 8670922
N-(1,3-benzothiazol-2-yl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598690
1-[(3-fluorophenyl)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopyridine-3-carboxamide
CID 7597651
N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599167
N-(6-methyl-1,3-benzothiazol-2-yl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 16803770
N-(6-methyl-1,3-benzothiazol-2-yl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 50806855
N-(6-chloro-1,3-benzothiazol-2-yl)-1-methyl-2-oxopyridine-3-carboxamide
CID 110692949
N-(4-acetylphenyl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599073
1-[(2-chlorophenyl)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-2-oxopyridine-3-carboxamide
CID 7598552
1-[(3-chlorophenyl)methyl]-N-(4-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 7599052
1-(1,3-benzothiazol-2-yl)-3-[2-(3-chlorophenyl)ethyl]urea
CID 41435752

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide (CID 7599139) is N-(1,3-benzothiazol-2-yl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide is O=C(Nc1nc2ccccc2s1)c1cccn(Cc2cccc(Cl)c2)c1=O.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is AJIKATMTNAQCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2S/c21-14-6-3-5-13(11-14)12-24-10-4-7-15(19(24)26)18(25)23-20-22-16-8-1-2-9-17(16)27-20/h1-11H,12H2,(H,22,23,25).
What are the key properties of N-(1,3-benzothiazol-2-yl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide?
N-(1,3-benzothiazol-2-yl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 395.87 g/mol, XLogP of 4.41, 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-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 7599139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).