N-(1,3-benzothiazol-2-yl)-1-benzyl-2-oxopyridine-3-carboxamide

C20H15N3O2S — CID 7422730

IUPACN-(1,3-benzothiazol-2-yl)-1-benzyl-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1cccn(Cc2ccccc2)c1=O
InChIInChI=1S/C20H15N3O2S/c24-18(22-20-21-16-10-4-5-11-17(16)26-20)15-9-6-12-23(19(15)25)13-14-7-2-1-3-8-14/h1-12H,13H2,(H,21,22,24)
InChIKeyZURDJRNGWGNXLS-UHFFFAOYSA-N
MW361.43 g/mol
LogP3.76
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-1-benzyl-2-oxopyridine-3-carboxamide

N-(1,3-benzothiazol-2-yl)-1-benzyl-2-oxopyridine-3-carboxamide (PubChem CID 7422730) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-1-benzyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-1-benzyl-2-oxopyridine-3-carboxamide
PubChem CID7422730
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC NameN-(1,3-benzothiazol-2-yl)-1-benzyl-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1cccn(Cc2ccccc2)c1=O
InChIInChI=1S/C20H15N3O2S/c24-18(22-20-21-16-10-4-5-11-17(16)26-20)15-9-6-12-23(19(15)25)13-14-7-2-1-3-8-14/h1-12H,13H2,(H,21,22,24)
InChIKeyZURDJRNGWGNXLS-UHFFFAOYSA-N
XLogP3.76
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-1-benzyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-1-benzyl-2-oxopyridine-3-carboxamide (CID 7422730) is N-(1,3-benzothiazol-2-yl)-1-benzyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-1-benzyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-1-benzyl-2-oxopyridine-3-carboxamide is O=C(Nc1nc2ccccc2s1)c1cccn(Cc2ccccc2)c1=O.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-1-benzyl-2-oxopyridine-3-carboxamide?
The InChIKey is ZURDJRNGWGNXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2S/c24-18(22-20-21-16-10-4-5-11-17(16)26-20)15-9-6-12-23(19(15)25)13-14-7-2-1-3-8-14/h1-12H,13H2,(H,21,22,24).
What are the key properties of N-(1,3-benzothiazol-2-yl)-1-benzyl-2-oxopyridine-3-carboxamide?
N-(1,3-benzothiazol-2-yl)-1-benzyl-2-oxopyridine-3-carboxamide has a molecular weight of 361.43 g/mol, XLogP of 3.76, 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-benzyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 7422730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).