N-(1,3-benzothiazol-7-ylmethyl)-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide

C21H19N5O2S — CID 172673887

About N-(1,3-benzothiazol-7-ylmethyl)-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide

N-(1,3-benzothiazol-7-ylmethyl)-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 172673887) has the molecular formula C21H19N5O2S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-(1,3-benzothiazol-7-ylmethyl)-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(1,3-benzothiazol-7-ylmethyl)-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide
• PubChem CID: 172673887
• Molecular Formula: C21H19N5O2S
• Molecular Weight: 405.48 g/mol
• Exact Mass: 405.13
• IUPAC Name: N-(1,3-benzothiazol-7-ylmethyl)-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide
• SMILES: Cc1cnc(Cn2ccc(C)c(C(=O)NCc3cccc4ncsc34)c2=O)cn1
• InChI: InChI=1S/C21H19N5O2S/c1-13-6-7-26(11-16-10-22-14(2)8-23-16)21(28)18(13)20(27)24-9-15-4-3-5-17-19(15)29-12-25-17/h3-8,10,12H,9,11H2,1-2H3,(H,24,27)
• InChIKey: YANTWDSXZUNSCN-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 89.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.48
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-7-ylmethyl)-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide?

The IUPAC name of N-(1,3-benzothiazol-7-ylmethyl)-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide (CID 172673887) is N-(1,3-benzothiazol-7-ylmethyl)-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide.

What is the SMILES notation for N-(1,3-benzothiazol-7-ylmethyl)-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide?

The canonical SMILES for N-(1,3-benzothiazol-7-ylmethyl)-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide is Cc1cnc(Cn2ccc(C)c(C(=O)NCc3cccc4ncsc34)c2=O)cn1.

What is the InChIKey of N-(1,3-benzothiazol-7-ylmethyl)-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide?

The InChIKey is YANTWDSXZUNSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2S/c1-13-6-7-26(11-16-10-22-14(2)8-23-16)21(28)18(13)20(27)24-9-15-4-3-5-17-19(15)29-12-25-17/h3-8,10,12H,9,11H2,1-2H3,(H,24,27).

What are the key properties of N-(1,3-benzothiazol-7-ylmethyl)-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide?

N-(1,3-benzothiazol-7-ylmethyl)-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzothiazol-7-ylmethyl)-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172673887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).