6-benzyl-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide

C22H20N4O3 — CID 169248825

About 6-benzyl-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide

6-benzyl-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide (PubChem CID 169248825) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 6-benzyl-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-benzyl-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide
• PubChem CID: 169248825
• Molecular Formula: C22H20N4O3
• Molecular Weight: 388.43 g/mol
• Exact Mass: 388.15
• IUPAC Name: 6-benzyl-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide
• SMILES: Cc1cnc(CNC(=O)c2cc3c(=O)n(Cc4ccccc4)ccc3nc2C)o1
• InChI: InChI=1S/C22H20N4O3/c1-14-11-23-20(29-14)12-24-21(27)17-10-18-19(25-15(17)2)8-9-26(22(18)28)13-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,24,27)
• InChIKey: KTRRGJHIWABIRN-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 90.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.43
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide?

The IUPAC name of 6-benzyl-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide (CID 169248825) is 6-benzyl-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide.

What is the SMILES notation for 6-benzyl-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide?

The canonical SMILES for 6-benzyl-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide is Cc1cnc(CNC(=O)c2cc3c(=O)n(Cc4ccccc4)ccc3nc2C)o1.

What is the InChIKey of 6-benzyl-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide?

The InChIKey is KTRRGJHIWABIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-14-11-23-20(29-14)12-24-21(27)17-10-18-19(25-15(17)2)8-9-26(22(18)28)13-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,24,27).

What are the key properties of 6-benzyl-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide?

6-benzyl-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-benzyl-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 169248825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).