6-[(3-fluorophenyl)methyl]-2-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide

C22H19FN4O3 — CID 169248733

About 6-[(3-fluorophenyl)methyl]-2-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide

6-[(3-fluorophenyl)methyl]-2-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide (PubChem CID 169248733) has the molecular formula C22H19FN4O3 and a molecular weight of 406.42 g/mol. Its IUPAC name is 6-[(3-fluorophenyl)methyl]-2-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(3-fluorophenyl)methyl]-2-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide
• PubChem CID: 169248733
• Molecular Formula: C22H19FN4O3
• Molecular Weight: 406.42 g/mol
• Exact Mass: 406.14
• IUPAC Name: 6-[(3-fluorophenyl)methyl]-2-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide
• SMILES: Cc1nc(CNC(=O)c2cc3c(=O)n(Cc4cccc(F)c4)ccc3nc2C)co1
• InChI: InChI=1S/C22H19FN4O3/c1-13-18(21(28)24-10-17-12-30-14(2)26-17)9-19-20(25-13)6-7-27(22(19)29)11-15-4-3-5-16(23)8-15/h3-9,12H,10-11H2,1-2H3,(H,24,28)
• InChIKey: REIBBAUIWRBTJY-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 90.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.42
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluorophenyl)methyl]-2-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide?

The IUPAC name of 6-[(3-fluorophenyl)methyl]-2-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide (CID 169248733) is 6-[(3-fluorophenyl)methyl]-2-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide.

What is the SMILES notation for 6-[(3-fluorophenyl)methyl]-2-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide?

The canonical SMILES for 6-[(3-fluorophenyl)methyl]-2-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide is Cc1nc(CNC(=O)c2cc3c(=O)n(Cc4cccc(F)c4)ccc3nc2C)co1.

What is the InChIKey of 6-[(3-fluorophenyl)methyl]-2-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide?

The InChIKey is REIBBAUIWRBTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3/c1-13-18(21(28)24-10-17-12-30-14(2)26-17)9-19-20(25-13)6-7-27(22(19)29)11-15-4-3-5-16(23)8-15/h3-9,12H,10-11H2,1-2H3,(H,24,28).

What are the key properties of 6-[(3-fluorophenyl)methyl]-2-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide?

6-[(3-fluorophenyl)methyl]-2-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide has a molecular weight of 406.42 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3-fluorophenyl)methyl]-2-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 169248733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).