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

C20H26FN3O2 — CID 118719599

IUPAC1-(4-fluorobutyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC1CCC(NC(=O)c2cc3cccnc3n(CCCCF)c2=O)CC1
InChIInChI=1S/C20H26FN3O2/c1-14-6-8-16(9-7-14)23-19(25)17-13-15-5-4-11-22-18(15)24(20(17)26)12-3-2-10-21/h4-5,11,13-14,16H,2-3,6-10,12H2,1H3,(H,23,25)
InChIKeyDGODHYWQAXDKTG-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.45
Rot. Bonds6

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

1-(4-fluorobutyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 118719599) has the molecular formula C20H26FN3O2 and a molecular weight of 359.45 g/mol. Its IUPAC name is 1-(4-fluorobutyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobutyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID118719599
Molecular FormulaC20H26FN3O2
Molecular Weight359.45 g/mol
Exact Mass359.20
IUPAC Name1-(4-fluorobutyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC1CCC(NC(=O)c2cc3cccnc3n(CCCCF)c2=O)CC1
InChIInChI=1S/C20H26FN3O2/c1-14-6-8-16(9-7-14)23-19(25)17-13-15-5-4-11-22-18(15)24(20(17)26)12-3-2-10-21/h4-5,11,13-14,16H,2-3,6-10,12H2,1H3,(H,23,25)
InChIKeyDGODHYWQAXDKTG-UHFFFAOYSA-N
XLogP3.45
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.45
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-(4-fluorobutyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-(4-fluorobutyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 118719599) is 1-(4-fluorobutyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorobutyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-(4-fluorobutyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide is CC1CCC(NC(=O)c2cc3cccnc3n(CCCCF)c2=O)CC1.
What is the InChIKey of 1-(4-fluorobutyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is DGODHYWQAXDKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O2/c1-14-6-8-16(9-7-14)23-19(25)17-13-15-5-4-11-22-18(15)24(20(17)26)12-3-2-10-21/h4-5,11,13-14,16H,2-3,6-10,12H2,1H3,(H,23,25).
What are the key properties of 1-(4-fluorobutyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
1-(4-fluorobutyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobutyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 118719599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).