N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-yl]-2-methoxyacetamide

C25H18FN5O2 — CID 56592464

IUPACN-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)nccc12
InChIInChI=1S/C25H18FN5O2/c1-33-14-22(32)31-25-17-9-11-27-23(15(17)8-12-29-25)19-13-21(18-5-2-3-7-20(18)26)30-24-16(19)6-4-10-28-24/h2-13H,14H2,1H3,(H,29,31,32)
InChIKeyBQOQZSUMXDSJCU-UHFFFAOYSA-N
MW439.45 g/mol
LogP4.63
Rot. Bonds5

About N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-yl]-2-methoxyacetamide

N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-yl]-2-methoxyacetamide (PubChem CID 56592464) has the molecular formula C25H18FN5O2 and a molecular weight of 439.45 g/mol. Its IUPAC name is N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-yl]-2-methoxyacetamide
PubChem CID56592464
Molecular FormulaC25H18FN5O2
Molecular Weight439.45 g/mol
Exact Mass439.14
IUPAC NameN-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)nccc12
InChIInChI=1S/C25H18FN5O2/c1-33-14-22(32)31-25-17-9-11-27-23(15(17)8-12-29-25)19-13-21(18-5-2-3-7-20(18)26)30-24-16(19)6-4-10-28-24/h2-13H,14H2,1H3,(H,29,31,32)
InChIKeyBQOQZSUMXDSJCU-UHFFFAOYSA-N
XLogP4.63
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-yl]-2-methoxyacetamide?
The IUPAC name of N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-yl]-2-methoxyacetamide (CID 56592464) is N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-yl]-2-methoxyacetamide?
The canonical SMILES for N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-yl]-2-methoxyacetamide is COCC(=O)Nc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)nccc12.
What is the InChIKey of N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-yl]-2-methoxyacetamide?
The InChIKey is BQOQZSUMXDSJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN5O2/c1-33-14-22(32)31-25-17-9-11-27-23(15(17)8-12-29-25)19-13-21(18-5-2-3-7-20(18)26)30-24-16(19)6-4-10-28-24/h2-13H,14H2,1H3,(H,29,31,32).
What are the key properties of N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-yl]-2-methoxyacetamide?
N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-yl]-2-methoxyacetamide has a molecular weight of 439.45 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-yl]-2-methoxyacetamide is sourced from PubChem (CID 56592464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).