4-fluoro-N-[3-(6-methoxypyrazin-2-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]benzamide

C20H14FN5O3 — CID 58093625

IUPAC4-fluoro-N-[3-(6-methoxypyrazin-2-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]benzamide
SMILESCOc1cncc(-c2cc3cc[nH]c(=O)c3c(NC(=O)c3ccc(F)cc3)n2)n1
InChIInChI=1S/C20H14FN5O3/c1-29-16-10-22-9-15(24-16)14-8-12-6-7-23-20(28)17(12)18(25-14)26-19(27)11-2-4-13(21)5-3-11/h2-10H,1H3,(H,23,28)(H,25,26,27)
InChIKeyGEZYBPGHEDEVER-UHFFFAOYSA-N
MW391.36 g/mol
LogP2.78
Rot. Bonds4

About 4-fluoro-N-[3-(6-methoxypyrazin-2-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]benzamide

4-fluoro-N-[3-(6-methoxypyrazin-2-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]benzamide (PubChem CID 58093625) has the molecular formula C20H14FN5O3 and a molecular weight of 391.36 g/mol. Its IUPAC name is 4-fluoro-N-[3-(6-methoxypyrazin-2-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-(6-methoxypyrazin-2-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]benzamide
PubChem CID58093625
Molecular FormulaC20H14FN5O3
Molecular Weight391.36 g/mol
Exact Mass391.11
IUPAC Name4-fluoro-N-[3-(6-methoxypyrazin-2-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]benzamide
SMILESCOc1cncc(-c2cc3cc[nH]c(=O)c3c(NC(=O)c3ccc(F)cc3)n2)n1
InChIInChI=1S/C20H14FN5O3/c1-29-16-10-22-9-15(24-16)14-8-12-6-7-23-20(28)17(12)18(25-14)26-19(27)11-2-4-13(21)5-3-11/h2-10H,1H3,(H,23,28)(H,25,26,27)
InChIKeyGEZYBPGHEDEVER-UHFFFAOYSA-N
XLogP2.78
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-(6-methoxypyrazin-2-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]benzamide?
The IUPAC name of 4-fluoro-N-[3-(6-methoxypyrazin-2-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]benzamide (CID 58093625) is 4-fluoro-N-[3-(6-methoxypyrazin-2-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-(6-methoxypyrazin-2-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-(6-methoxypyrazin-2-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]benzamide is COc1cncc(-c2cc3cc[nH]c(=O)c3c(NC(=O)c3ccc(F)cc3)n2)n1.
What is the InChIKey of 4-fluoro-N-[3-(6-methoxypyrazin-2-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]benzamide?
The InChIKey is GEZYBPGHEDEVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN5O3/c1-29-16-10-22-9-15(24-16)14-8-12-6-7-23-20(28)17(12)18(25-14)26-19(27)11-2-4-13(21)5-3-11/h2-10H,1H3,(H,23,28)(H,25,26,27).
What are the key properties of 4-fluoro-N-[3-(6-methoxypyrazin-2-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]benzamide?
4-fluoro-N-[3-(6-methoxypyrazin-2-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]benzamide has a molecular weight of 391.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-(6-methoxypyrazin-2-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]benzamide is sourced from PubChem (CID 58093625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).