5-(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide

C22H20FN5O4 — CID 5275804

IUPAC5-(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
SMILESCN1C(=O)CC(c2nc(C(=O)NCc3ccc(F)cc3)c(O)c3ncccc23)N(C)C1=O
InChIInChI=1S/C22H20FN5O4/c1-27-15(10-16(29)28(2)22(27)32)17-14-4-3-9-24-18(14)20(30)19(26-17)21(31)25-11-12-5-7-13(23)8-6-12/h3-9,15,30H,10-11H2,1-2H3,(H,25,31)
InChIKeyLGQWHMWVBRHRMJ-UHFFFAOYSA-N
MW437.43 g/mol
LogP2.36
Rot. Bonds4

About 5-(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide

5-(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide (PubChem CID 5275804) has the molecular formula C22H20FN5O4 and a molecular weight of 437.43 g/mol. Its IUPAC name is 5-(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound Name5-(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
PubChem CID5275804
Molecular FormulaC22H20FN5O4
Molecular Weight437.43 g/mol
Exact Mass437.15
IUPAC Name5-(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
SMILESCN1C(=O)CC(c2nc(C(=O)NCc3ccc(F)cc3)c(O)c3ncccc23)N(C)C1=O
InChIInChI=1S/C22H20FN5O4/c1-27-15(10-16(29)28(2)22(27)32)17-14-4-3-9-24-18(14)20(30)19(26-17)21(31)25-11-12-5-7-13(23)8-6-12/h3-9,15,30H,10-11H2,1-2H3,(H,25,31)
InChIKeyLGQWHMWVBRHRMJ-UHFFFAOYSA-N
XLogP2.36
TPSA115.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.43
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?
The IUPAC name of 5-(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide (CID 5275804) is 5-(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for 5-(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for 5-(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide is CN1C(=O)CC(c2nc(C(=O)NCc3ccc(F)cc3)c(O)c3ncccc23)N(C)C1=O.
What is the InChIKey of 5-(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?
The InChIKey is LGQWHMWVBRHRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O4/c1-27-15(10-16(29)28(2)22(27)32)17-14-4-3-9-24-18(14)20(30)19(26-17)21(31)25-11-12-5-7-13(23)8-6-12/h3-9,15,30H,10-11H2,1-2H3,(H,25,31).
What are the key properties of 5-(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?
5-(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide has a molecular weight of 437.43 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 5275804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).