5-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide

C21H22FN5O3 — CID 15958276

IUPAC5-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
SMILESCN(C)C(=O)CN(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12
InChIInChI=1S/C21H22FN5O3/c1-26(2)16(28)12-27(3)20-15-5-4-10-23-17(15)19(29)18(25-20)21(30)24-11-13-6-8-14(22)9-7-13/h4-10,29H,11-12H2,1-3H3,(H,24,30)
InChIKeyNPZZCGAPVJQWAY-UHFFFAOYSA-N
MW411.44 g/mol
LogP1.93
Rot. Bonds6

About 5-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide

5-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide (PubChem CID 15958276) has the molecular formula C21H22FN5O3 and a molecular weight of 411.44 g/mol. Its IUPAC name is 5-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound Name5-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
PubChem CID15958276
Molecular FormulaC21H22FN5O3
Molecular Weight411.44 g/mol
Exact Mass411.17
IUPAC Name5-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
SMILESCN(C)C(=O)CN(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12
InChIInChI=1S/C21H22FN5O3/c1-26(2)16(28)12-27(3)20-15-5-4-10-23-17(15)19(29)18(25-20)21(30)24-11-13-6-8-14(22)9-7-13/h4-10,29H,11-12H2,1-3H3,(H,24,30)
InChIKeyNPZZCGAPVJQWAY-UHFFFAOYSA-N
XLogP1.93
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?
The IUPAC name of 5-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide (CID 15958276) is 5-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for 5-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for 5-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide is CN(C)C(=O)CN(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12.
What is the InChIKey of 5-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?
The InChIKey is NPZZCGAPVJQWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O3/c1-26(2)16(28)12-27(3)20-15-5-4-10-23-17(15)19(29)18(25-20)21(30)24-11-13-6-8-14(22)9-7-13/h4-10,29H,11-12H2,1-3H3,(H,24,30).
What are the key properties of 5-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?
5-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide has a molecular weight of 411.44 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 15958276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).