4-fluoro-N-[1-[5-(6-methoxypyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide

C22H22FN5O2 — CID 142580538

About 4-fluoro-N-[1-[5-(6-methoxypyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide

4-fluoro-N-[1-[5-(6-methoxypyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide (PubChem CID 142580538) has the molecular formula C22H22FN5O2 and a molecular weight of 407.45 g/mol. Its IUPAC name is 4-fluoro-N-[1-[5-(6-methoxypyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 4-fluoro-N-[1-[5-(6-methoxypyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide
• PubChem CID: 142580538
• Molecular Formula: C22H22FN5O2
• Molecular Weight: 407.45 g/mol
• Exact Mass: 407.18
• IUPAC Name: 4-fluoro-N-[1-[5-(6-methoxypyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide
• SMILES: COc1cc(N2CCCc3nc(C(C)NC(=O)c4ccc(F)cc4)ccc32)ncn1
• InChI: InChI=1S/C22H22FN5O2/c1-14(26-22(29)15-5-7-16(23)8-6-15)17-9-10-19-18(27-17)4-3-11-28(19)20-12-21(30-2)25-13-24-20/h5-10,12-14H,3-4,11H2,1-2H3,(H,26,29)
• InChIKey: ICZZFMHJFDQDEB-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 80.24 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	407.45
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[5-(6-methoxypyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide?

The IUPAC name of 4-fluoro-N-[1-[5-(6-methoxypyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide (CID 142580538) is 4-fluoro-N-[1-[5-(6-methoxypyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide.

What is the SMILES notation for 4-fluoro-N-[1-[5-(6-methoxypyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide?

The canonical SMILES for 4-fluoro-N-[1-[5-(6-methoxypyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide is COc1cc(N2CCCc3nc(C(C)NC(=O)c4ccc(F)cc4)ccc32)ncn1.

What is the InChIKey of 4-fluoro-N-[1-[5-(6-methoxypyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide?

The InChIKey is ICZZFMHJFDQDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O2/c1-14(26-22(29)15-5-7-16(23)8-6-15)17-9-10-19-18(27-17)4-3-11-28(19)20-12-21(30-2)25-13-24-20/h5-10,12-14H,3-4,11H2,1-2H3,(H,26,29).

What are the key properties of 4-fluoro-N-[1-[5-(6-methoxypyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide?

4-fluoro-N-[1-[5-(6-methoxypyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide has a molecular weight of 407.45 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[1-[5-(6-methoxypyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide is sourced from PubChem (CID 142580538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).