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

C21H20FN5O4 — CID 6918643

IUPACN'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N,N'-trimethyloxamide
SMILESCN(C)C(=O)C(=O)N(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12
InChIInChI=1S/C21H20FN5O4/c1-26(2)20(30)21(31)27(3)18-14-5-4-10-23-15(14)17(28)16(25-18)19(29)24-11-12-6-8-13(22)9-7-12/h4-10,28H,11H2,1-3H3,(H,24,29)
InChIKeyDKMXWAOCNKDQMT-UHFFFAOYSA-N
MW425.42 g/mol
LogP1.46
Rot. Bonds4

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

N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N,N'-trimethyloxamide (PubChem CID 6918643) has the molecular formula C21H20FN5O4 and a molecular weight of 425.42 g/mol. Its IUPAC name is N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N,N'-trimethyloxamide.

Molecular Properties

Compound NameN'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N,N'-trimethyloxamide
PubChem CID6918643
Molecular FormulaC21H20FN5O4
Molecular Weight425.42 g/mol
Exact Mass425.15
IUPAC NameN'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N,N'-trimethyloxamide
SMILESCN(C)C(=O)C(=O)N(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12
InChIInChI=1S/C21H20FN5O4/c1-26(2)20(30)21(31)27(3)18-14-5-4-10-23-15(14)17(28)16(25-18)19(29)24-11-12-6-8-13(22)9-7-12/h4-10,28H,11H2,1-3H3,(H,24,29)
InChIKeyDKMXWAOCNKDQMT-UHFFFAOYSA-N
XLogP1.46
TPSA115.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.42
LogP ≤ 51.46
H-Bond Donors ≤ 52
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,N'-trimethyloxamide?
The IUPAC name of N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N,N'-trimethyloxamide (CID 6918643) is N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N,N'-trimethyloxamide.
What is the SMILES notation for N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N,N'-trimethyloxamide?
The canonical SMILES for N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N,N'-trimethyloxamide is CN(C)C(=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,N'-trimethyloxamide?
The InChIKey is DKMXWAOCNKDQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O4/c1-26(2)20(30)21(31)27(3)18-14-5-4-10-23-15(14)17(28)16(25-18)19(29)24-11-12-6-8-13(22)9-7-12/h4-10,28H,11H2,1-3H3,(H,24,29).
What are the key properties of N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N,N'-trimethyloxamide?
N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N,N'-trimethyloxamide has a molecular weight of 425.42 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 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,N'-trimethyloxamide is sourced from PubChem (CID 6918643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).