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

C22H18F2N4O3 — CID 169248853

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

6-[(3,4-difluorophenyl)methyl]-2-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide (PubChem CID 169248853) has the molecular formula C22H18F2N4O3 and a molecular weight of 424.41 g/mol. Its IUPAC name is 6-[(3,4-difluorophenyl)methyl]-2-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(3,4-difluorophenyl)methyl]-2-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide
• PubChem CID: 169248853
• Molecular Formula: C22H18F2N4O3
• Molecular Weight: 424.41 g/mol
• Exact Mass: 424.13
• IUPAC Name: 6-[(3,4-difluorophenyl)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(Cc4ccc(F)c(F)c4)ccc3nc2C)co1
• InChI: InChI=1S/C22H18F2N4O3/c1-12-16(21(29)25-9-15-11-31-13(2)27-15)8-17-20(26-12)5-6-28(22(17)30)10-14-3-4-18(23)19(24)7-14/h3-8,11H,9-10H2,1-2H3,(H,25,29)
• InChIKey: CEWCTXBUYYYPIB-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 90.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.41
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-[(3,4-difluorophenyl)methyl]-2-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide (CID 169248853) is 6-[(3,4-difluorophenyl)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-[(3,4-difluorophenyl)methyl]-2-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide?

The canonical SMILES for 6-[(3,4-difluorophenyl)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(Cc4ccc(F)c(F)c4)ccc3nc2C)co1.

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

The InChIKey is CEWCTXBUYYYPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O3/c1-12-16(21(29)25-9-15-11-31-13(2)27-15)8-17-20(26-12)5-6-28(22(17)30)10-14-3-4-18(23)19(24)7-14/h3-8,11H,9-10H2,1-2H3,(H,25,29).

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

6-[(3,4-difluorophenyl)methyl]-2-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide has a molecular weight of 424.41 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3,4-difluorophenyl)methyl]-2-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 169248853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).