[4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxymethyl]cyclohexyl]carbamic acid

C17H20FN3O4 — CID 68606085

IUPAC[4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxymethyl]cyclohexyl]carbamic acid
SMILESCn1c(=O)ccc2ncc(F)c(OCC3CCC(NC(=O)O)CC3)c21
InChIInChI=1S/C17H20FN3O4/c1-21-14(22)7-6-13-15(21)16(12(18)8-19-13)25-9-10-2-4-11(5-3-10)20-17(23)24/h6-8,10-11,20H,2-5,9H2,1H3,(H,23,24)
InChIKeyARQNGZWNGYTGAB-UHFFFAOYSA-N
MW349.36 g/mol
LogP2.28
Rot. Bonds4

About [4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxymethyl]cyclohexyl]carbamic acid

[4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxymethyl]cyclohexyl]carbamic acid (PubChem CID 68606085) has the molecular formula C17H20FN3O4 and a molecular weight of 349.36 g/mol. Its IUPAC name is [4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxymethyl]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxymethyl]cyclohexyl]carbamic acid
PubChem CID68606085
Molecular FormulaC17H20FN3O4
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC Name[4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxymethyl]cyclohexyl]carbamic acid
SMILESCn1c(=O)ccc2ncc(F)c(OCC3CCC(NC(=O)O)CC3)c21
InChIInChI=1S/C17H20FN3O4/c1-21-14(22)7-6-13-15(21)16(12(18)8-19-13)25-9-10-2-4-11(5-3-10)20-17(23)24/h6-8,10-11,20H,2-5,9H2,1H3,(H,23,24)
InChIKeyARQNGZWNGYTGAB-UHFFFAOYSA-N
XLogP2.28
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxymethyl]cyclohexyl]carbamic acid?
The IUPAC name of [4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxymethyl]cyclohexyl]carbamic acid (CID 68606085) is [4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxymethyl]cyclohexyl]carbamic acid.
What is the SMILES notation for [4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxymethyl]cyclohexyl]carbamic acid?
The canonical SMILES for [4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxymethyl]cyclohexyl]carbamic acid is Cn1c(=O)ccc2ncc(F)c(OCC3CCC(NC(=O)O)CC3)c21.
What is the InChIKey of [4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxymethyl]cyclohexyl]carbamic acid?
The InChIKey is ARQNGZWNGYTGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O4/c1-21-14(22)7-6-13-15(21)16(12(18)8-19-13)25-9-10-2-4-11(5-3-10)20-17(23)24/h6-8,10-11,20H,2-5,9H2,1H3,(H,23,24).
What are the key properties of [4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxymethyl]cyclohexyl]carbamic acid?
[4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxymethyl]cyclohexyl]carbamic acid has a molecular weight of 349.36 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxymethyl]cyclohexyl]carbamic acid is sourced from PubChem (CID 68606085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).