N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridin-5-yl]-N'-methyloxamide

C19H16FN5O4 — CID 15958279

IUPACN'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridin-5-yl]-N'-methyloxamide
SMILESCN(C(=O)C(N)=O)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12
InChIInChI=1S/C19H16FN5O4/c1-25(19(29)16(21)27)17-12-3-2-8-22-13(12)15(26)14(24-17)18(28)23-9-10-4-6-11(20)7-5-10/h2-8,26H,9H2,1H3,(H2,21,27)(H,23,28)
InChIKeyFFQXHGFOMWLFGH-UHFFFAOYSA-N
MW397.37 g/mol
LogP0.85
Rot. Bonds4

About N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridin-5-yl]-N'-methyloxamide

N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridin-5-yl]-N'-methyloxamide (PubChem CID 15958279) has the molecular formula C19H16FN5O4 and a molecular weight of 397.37 g/mol. Its IUPAC name is N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridin-5-yl]-N'-methyloxamide.

Molecular Properties

Compound NameN'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridin-5-yl]-N'-methyloxamide
PubChem CID15958279
Molecular FormulaC19H16FN5O4
Molecular Weight397.37 g/mol
Exact Mass397.12
IUPAC NameN'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridin-5-yl]-N'-methyloxamide
SMILESCN(C(=O)C(N)=O)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12
InChIInChI=1S/C19H16FN5O4/c1-25(19(29)16(21)27)17-12-3-2-8-22-13(12)15(26)14(24-17)18(28)23-9-10-4-6-11(20)7-5-10/h2-8,26H,9H2,1H3,(H2,21,27)(H,23,28)
InChIKeyFFQXHGFOMWLFGH-UHFFFAOYSA-N
XLogP0.85
TPSA138.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.37
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridin-5-yl]-N'-methyloxamide?
The IUPAC name of N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridin-5-yl]-N'-methyloxamide (CID 15958279) is N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridin-5-yl]-N'-methyloxamide.
What is the SMILES notation for N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridin-5-yl]-N'-methyloxamide?
The canonical SMILES for N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridin-5-yl]-N'-methyloxamide is CN(C(=O)C(N)=O)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12.
What is the InChIKey of N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridin-5-yl]-N'-methyloxamide?
The InChIKey is FFQXHGFOMWLFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O4/c1-25(19(29)16(21)27)17-12-3-2-8-22-13(12)15(26)14(24-17)18(28)23-9-10-4-6-11(20)7-5-10/h2-8,26H,9H2,1H3,(H2,21,27)(H,23,28).
What are the key properties of N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridin-5-yl]-N'-methyloxamide?
N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridin-5-yl]-N'-methyloxamide has a molecular weight of 397.37 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridin-5-yl]-N'-methyloxamide is sourced from PubChem (CID 15958279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).