4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide

C23H24N4O3 — CID 54696285

IUPAC4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
SMILESCN1C2CCC1CC(NC(=O)c1c(O)c3cccnc3n(-c3ccccc3)c1=O)C2
InChIInChI=1S/C23H24N4O3/c1-26-16-9-10-17(26)13-14(12-16)25-22(29)19-20(28)18-8-5-11-24-21(18)27(23(19)30)15-6-3-2-4-7-15/h2-8,11,14,16-17,28H,9-10,12-13H2,1H3,(H,25,29)
InChIKeyPKZJCCXPAPHAET-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.45
Rot. Bonds3

About 4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide

4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide (PubChem CID 54696285) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
PubChem CID54696285
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
SMILESCN1C2CCC1CC(NC(=O)c1c(O)c3cccnc3n(-c3ccccc3)c1=O)C2
InChIInChI=1S/C23H24N4O3/c1-26-16-9-10-17(26)13-14(12-16)25-22(29)19-20(28)18-8-5-11-24-21(18)27(23(19)30)15-6-3-2-4-7-15/h2-8,11,14,16-17,28H,9-10,12-13H2,1H3,(H,25,29)
InChIKeyPKZJCCXPAPHAET-UHFFFAOYSA-N
XLogP2.45
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide (CID 54696285) is 4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide is CN1C2CCC1CC(NC(=O)c1c(O)c3cccnc3n(-c3ccccc3)c1=O)C2.
What is the InChIKey of 4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide?
The InChIKey is PKZJCCXPAPHAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-26-16-9-10-17(26)13-14(12-16)25-22(29)19-20(28)18-8-5-11-24-21(18)27(23(19)30)15-6-3-2-4-7-15/h2-8,11,14,16-17,28H,9-10,12-13H2,1H3,(H,25,29).
What are the key properties of 4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide?
4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 54696285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).