2-methyl-N-[[3-methyl-7-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-4-carboxamide

C24H24N4O4S — CID 42276952

About 2-methyl-N-[[3-methyl-7-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-4-carboxamide

2-methyl-N-[[3-methyl-7-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 42276952) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is 2-methyl-N-[[3-methyl-7-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-N-[[3-methyl-7-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 42276952
• Molecular Formula: C24H24N4O4S
• Molecular Weight: 464.55 g/mol
• Exact Mass: 464.15
• IUPAC Name: 2-methyl-N-[[3-methyl-7-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-4-carboxamide
• SMILES: Cc1nc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)c2coc4c2C(=O)CCC4)C3)cs1
• InChI: InChI=1S/C24H24N4O4S/c1-13-17(9-26-23(30)19-12-33-14(2)27-19)16-6-7-28(10-15(16)8-25-13)24(31)18-11-32-21-5-3-4-20(29)22(18)21/h8,11-12H,3-7,9-10H2,1-2H3,(H,26,30)
• InChIKey: JWCMPHFBQGNVOY-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.55
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-methyl-7-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-methyl-N-[[3-methyl-7-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-4-carboxamide (CID 42276952) is 2-methyl-N-[[3-methyl-7-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-methyl-N-[[3-methyl-7-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-methyl-N-[[3-methyl-7-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)c2coc4c2C(=O)CCC4)C3)cs1.

What is the InChIKey of 2-methyl-N-[[3-methyl-7-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-4-carboxamide?

The InChIKey is JWCMPHFBQGNVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-13-17(9-26-23(30)19-12-33-14(2)27-19)16-6-7-28(10-15(16)8-25-13)24(31)18-11-32-21-5-3-4-20(29)22(18)21/h8,11-12H,3-7,9-10H2,1-2H3,(H,26,30).

What are the key properties of 2-methyl-N-[[3-methyl-7-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-4-carboxamide?

2-methyl-N-[[3-methyl-7-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 464.55 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[[3-methyl-7-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42276952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).