N-[5-ethenyl-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-2-fluoro-6-hydroxybenzamide

C22H21FN6O2 — CID 169085637

About N-[5-ethenyl-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-2-fluoro-6-hydroxybenzamide

N-[5-ethenyl-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-2-fluoro-6-hydroxybenzamide (PubChem CID 169085637) has the molecular formula C22H21FN6O2 and a molecular weight of 420.45 g/mol. Its IUPAC name is N-[5-ethenyl-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-2-fluoro-6-hydroxybenzamide.

Molecular Properties

• Compound Name: N-[5-ethenyl-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-2-fluoro-6-hydroxybenzamide
• PubChem CID: 169085637
• Molecular Formula: C22H21FN6O2
• Molecular Weight: 420.45 g/mol
• Exact Mass: 420.17
• IUPAC Name: N-[5-ethenyl-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-2-fluoro-6-hydroxybenzamide
• SMILES: C=Cc1cnc(Nc2cnc3c(c2)CN(C)CC3)nc1NC(=O)c1c(O)cccc1F
• InChI: InChI=1S/C22H21FN6O2/c1-3-13-10-25-22(26-15-9-14-12-29(2)8-7-17(14)24-11-15)28-20(13)27-21(31)19-16(23)5-4-6-18(19)30/h3-6,9-11,30H,1,7-8,12H2,2H3,(H2,25,26,27,28,31)
• InChIKey: RAWRVXJXKYAZMM-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 103.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.45
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-ethenyl-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-2-fluoro-6-hydroxybenzamide?

The IUPAC name of N-[5-ethenyl-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-2-fluoro-6-hydroxybenzamide (CID 169085637) is N-[5-ethenyl-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-2-fluoro-6-hydroxybenzamide.

What is the SMILES notation for N-[5-ethenyl-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-2-fluoro-6-hydroxybenzamide?

The canonical SMILES for N-[5-ethenyl-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-2-fluoro-6-hydroxybenzamide is C=Cc1cnc(Nc2cnc3c(c2)CN(C)CC3)nc1NC(=O)c1c(O)cccc1F.

What is the InChIKey of N-[5-ethenyl-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-2-fluoro-6-hydroxybenzamide?

The InChIKey is RAWRVXJXKYAZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O2/c1-3-13-10-25-22(26-15-9-14-12-29(2)8-7-17(14)24-11-15)28-20(13)27-21(31)19-16(23)5-4-6-18(19)30/h3-6,9-11,30H,1,7-8,12H2,2H3,(H2,25,26,27,28,31).

What are the key properties of N-[5-ethenyl-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-2-fluoro-6-hydroxybenzamide?

N-[5-ethenyl-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-2-fluoro-6-hydroxybenzamide has a molecular weight of 420.45 g/mol, XLogP of 3.34, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-ethenyl-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-2-fluoro-6-hydroxybenzamide is sourced from PubChem (CID 169085637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).