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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Related Compounds

N-(4-Methylcyclohexyl)-1-(p-fluorobenzyl)-1,8-naphthyridin-2(1H)-on-3-carboxamide
CID 44157745
2-imino-10-methyl-5-oxo-1-phenethyl-N-(pyridin-3-ylmethyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
CID 1077312
N-Cycloheptyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 7620725
6-bromo-1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 101882735
1-(5-fluoropentyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 118719600
N-benzyl-N-(2-pyridinyl)-1-adamantanecarboxamide
CID 2851581
N-pyridin-2-yladamantane-1-carboxamide
CID 4219063
1-benzyl-N-cyclohexyl-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 7620138
N-cyclohexyl-1-(4-fluorobenzyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 7620714
N-[(E)-5-fluoro-2-adamantyl]-2-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}acetamide
CID 11655097
N-adamantan-2-yl-2-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-acetamide
CID 16100403
N-Cyclohexyl-1-butyl-1,8-naphthyridin-2(1H)-on-3-carboxamide
CID 44157661

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).