1-(5-fluoropentyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide

C21H28FN3O2 — CID 118719600

IUPAC1-(5-fluoropentyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC1CCC(NC(=O)c2cc3cccnc3n(CCCCCF)c2=O)CC1
InChIInChI=1S/C21H28FN3O2/c1-15-7-9-17(10-8-15)24-20(26)18-14-16-6-5-12-23-19(16)25(21(18)27)13-4-2-3-11-22/h5-6,12,14-15,17H,2-4,7-11,13H2,1H3,(H,24,26)
InChIKeyWITSMXUOQNQBLT-UHFFFAOYSA-N
MW373.47 g/mol
LogP3.84
Rot. Bonds7

About 1-(5-fluoropentyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide

1-(5-fluoropentyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 118719600) has the molecular formula C21H28FN3O2 and a molecular weight of 373.47 g/mol. Its IUPAC name is 1-(5-fluoropentyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-(5-fluoropentyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID118719600
Molecular FormulaC21H28FN3O2
Molecular Weight373.47 g/mol
Exact Mass373.22
IUPAC Name1-(5-fluoropentyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC1CCC(NC(=O)c2cc3cccnc3n(CCCCCF)c2=O)CC1
InChIInChI=1S/C21H28FN3O2/c1-15-7-9-17(10-8-15)24-20(26)18-14-16-6-5-12-23-19(16)25(21(18)27)13-4-2-3-11-22/h5-6,12,14-15,17H,2-4,7-11,13H2,1H3,(H,24,26)
InChIKeyWITSMXUOQNQBLT-UHFFFAOYSA-N
XLogP3.84
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
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 1-(5-fluoropentyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-(5-fluoropentyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 118719600) is 1-(5-fluoropentyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-(5-fluoropentyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-(5-fluoropentyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide is CC1CCC(NC(=O)c2cc3cccnc3n(CCCCCF)c2=O)CC1.
What is the InChIKey of 1-(5-fluoropentyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is WITSMXUOQNQBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O2/c1-15-7-9-17(10-8-15)24-20(26)18-14-16-6-5-12-23-19(16)25(21(18)27)13-4-2-3-11-22/h5-6,12,14-15,17H,2-4,7-11,13H2,1H3,(H,24,26).
What are the key properties of 1-(5-fluoropentyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
1-(5-fluoropentyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 373.47 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropentyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 118719600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).