1-(6-fluorohexyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide

C22H30FN3O2 — CID 118719601

IUPAC1-(6-fluorohexyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC1CCC(NC(=O)c2cc3cccnc3n(CCCCCCF)c2=O)CC1
InChIInChI=1S/C22H30FN3O2/c1-16-8-10-18(11-9-16)25-21(27)19-15-17-7-6-13-24-20(17)26(22(19)28)14-5-3-2-4-12-23/h6-7,13,15-16,18H,2-5,8-12,14H2,1H3,(H,25,27)
InChIKeyIJDIEWXYLHHPDE-UHFFFAOYSA-N
MW387.50 g/mol
LogP4.23
Rot. Bonds8

About 1-(6-fluorohexyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide

1-(6-fluorohexyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 118719601) has the molecular formula C22H30FN3O2 and a molecular weight of 387.50 g/mol. Its IUPAC name is 1-(6-fluorohexyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-(6-fluorohexyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID118719601
Molecular FormulaC22H30FN3O2
Molecular Weight387.50 g/mol
Exact Mass387.23
IUPAC Name1-(6-fluorohexyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC1CCC(NC(=O)c2cc3cccnc3n(CCCCCCF)c2=O)CC1
InChIInChI=1S/C22H30FN3O2/c1-16-8-10-18(11-9-16)25-21(27)19-15-17-7-6-13-24-20(17)26(22(19)28)14-5-3-2-4-12-23/h6-7,13,15-16,18H,2-5,8-12,14H2,1H3,(H,25,27)
InChIKeyIJDIEWXYLHHPDE-UHFFFAOYSA-N
XLogP4.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 54.23
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-(6-fluorohexyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-(6-fluorohexyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 118719601) is 1-(6-fluorohexyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-(6-fluorohexyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-(6-fluorohexyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide is CC1CCC(NC(=O)c2cc3cccnc3n(CCCCCCF)c2=O)CC1.
What is the InChIKey of 1-(6-fluorohexyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is IJDIEWXYLHHPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN3O2/c1-16-8-10-18(11-9-16)25-21(27)19-15-17-7-6-13-24-20(17)26(22(19)28)14-5-3-2-4-12-23/h6-7,13,15-16,18H,2-5,8-12,14H2,1H3,(H,25,27).
What are the key properties of 1-(6-fluorohexyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
1-(6-fluorohexyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 387.50 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluorohexyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 118719601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).