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

C20H18FN5O4 — CID 15958278

IUPACN'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N'-dimethyloxamide
SMILESCNC(=O)C(=O)N(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12
InChIInChI=1S/C20H18FN5O4/c1-22-19(29)20(30)26(2)17-13-4-3-9-23-14(13)16(27)15(25-17)18(28)24-10-11-5-7-12(21)8-6-11/h3-9,27H,10H2,1-2H3,(H,22,29)(H,24,28)
InChIKeyMUFNUVZUWISNGN-UHFFFAOYSA-N
MW411.39 g/mol
LogP1.11
Rot. Bonds4

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

N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N'-dimethyloxamide (PubChem CID 15958278) has the molecular formula C20H18FN5O4 and a molecular weight of 411.39 g/mol. Its IUPAC name is N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N'-dimethyloxamide.

Molecular Properties

Compound NameN'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N'-dimethyloxamide
PubChem CID15958278
Molecular FormulaC20H18FN5O4
Molecular Weight411.39 g/mol
Exact Mass411.13
IUPAC NameN'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N'-dimethyloxamide
SMILESCNC(=O)C(=O)N(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12
InChIInChI=1S/C20H18FN5O4/c1-22-19(29)20(30)26(2)17-13-4-3-9-23-14(13)16(27)15(25-17)18(28)24-10-11-5-7-12(21)8-6-11/h3-9,27H,10H2,1-2H3,(H,22,29)(H,24,28)
InChIKeyMUFNUVZUWISNGN-UHFFFAOYSA-N
XLogP1.11
TPSA124.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.39
LogP ≤ 51.11
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,N'-dimethyloxamide?
The IUPAC name of N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N'-dimethyloxamide (CID 15958278) is N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N'-dimethyloxamide.
What is the SMILES notation for N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N'-dimethyloxamide?
The canonical SMILES for N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N'-dimethyloxamide is CNC(=O)C(=O)N(C)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,N'-dimethyloxamide?
The InChIKey is MUFNUVZUWISNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O4/c1-22-19(29)20(30)26(2)17-13-4-3-9-23-14(13)16(27)15(25-17)18(28)24-10-11-5-7-12(21)8-6-11/h3-9,27H,10H2,1-2H3,(H,22,29)(H,24,28).
What are the key properties of N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N'-dimethyloxamide?
N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N'-dimethyloxamide has a molecular weight of 411.39 g/mol, XLogP of 1.11, 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,N'-dimethyloxamide is sourced from PubChem (CID 15958278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).