N-(1-adamantyl)-1-(4-fluorobutyl)-2-oxo-1,8-naphthyridine-3-carboxamide

C23H28FN3O2 — CID 164946848

IUPACN-(1-adamantyl)-1-(4-fluorobutyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1cc2cccnc2n(CCCCF)c1=O
InChIInChI=1S/C23H28FN3O2/c24-5-1-2-7-27-20-18(4-3-6-25-20)11-19(22(27)29)21(28)26-23-12-15-8-16(13-23)10-17(9-15)14-23/h3-4,6,11,15-17H,1-2,5,7-10,12-14H2,(H,26,28)
InChIKeyLYLVHFQOOVHCMT-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.84
Rot. Bonds6

About N-(1-adamantyl)-1-(4-fluorobutyl)-2-oxo-1,8-naphthyridine-3-carboxamide

N-(1-adamantyl)-1-(4-fluorobutyl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 164946848) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is N-(1-adamantyl)-1-(4-fluorobutyl)-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1-(4-fluorobutyl)-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID164946848
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC NameN-(1-adamantyl)-1-(4-fluorobutyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1cc2cccnc2n(CCCCF)c1=O
InChIInChI=1S/C23H28FN3O2/c24-5-1-2-7-27-20-18(4-3-6-25-20)11-19(22(27)29)21(28)26-23-12-15-8-16(13-23)10-17(9-15)14-23/h3-4,6,11,15-17H,1-2,5,7-10,12-14H2,(H,26,28)
InChIKeyLYLVHFQOOVHCMT-UHFFFAOYSA-N
XLogP3.84
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1-(4-fluorobutyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-1-(4-fluorobutyl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 164946848) is N-(1-adamantyl)-1-(4-fluorobutyl)-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1-(4-fluorobutyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1-(4-fluorobutyl)-2-oxo-1,8-naphthyridine-3-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2cccnc2n(CCCCF)c1=O.
What is the InChIKey of N-(1-adamantyl)-1-(4-fluorobutyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is LYLVHFQOOVHCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c24-5-1-2-7-27-20-18(4-3-6-25-20)11-19(22(27)29)21(28)26-23-12-15-8-16(13-23)10-17(9-15)14-23/h3-4,6,11,15-17H,1-2,5,7-10,12-14H2,(H,26,28).
What are the key properties of N-(1-adamantyl)-1-(4-fluorobutyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
N-(1-adamantyl)-1-(4-fluorobutyl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 397.49 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-(4-fluorobutyl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 164946848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).