3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid

C17H18N4O4 — CID 138518214

IUPAC3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid
SMILESCOC1(C)CCN(c2c(C#N)c(=O)[nH]c3cnc(C(=O)O)cc23)CC1
InChIInChI=1S/C17H18N4O4/c1-17(25-2)3-5-21(6-4-17)14-10-7-12(16(23)24)19-9-13(10)20-15(22)11(14)8-18/h7,9H,3-6H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyNEDWWGJSJAIVKA-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.50
Rot. Bonds3

About 3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid

3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid (PubChem CID 138518214) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid
PubChem CID138518214
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid
SMILESCOC1(C)CCN(c2c(C#N)c(=O)[nH]c3cnc(C(=O)O)cc23)CC1
InChIInChI=1S/C17H18N4O4/c1-17(25-2)3-5-21(6-4-17)14-10-7-12(16(23)24)19-9-13(10)20-15(22)11(14)8-18/h7,9H,3-6H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyNEDWWGJSJAIVKA-UHFFFAOYSA-N
XLogP1.50
TPSA119.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid?
The IUPAC name of 3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid (CID 138518214) is 3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid.
What is the SMILES notation for 3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid?
The canonical SMILES for 3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid is COC1(C)CCN(c2c(C#N)c(=O)[nH]c3cnc(C(=O)O)cc23)CC1.
What is the InChIKey of 3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid?
The InChIKey is NEDWWGJSJAIVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-17(25-2)3-5-21(6-4-17)14-10-7-12(16(23)24)19-9-13(10)20-15(22)11(14)8-18/h7,9H,3-6H2,1-2H3,(H,20,22)(H,23,24).
What are the key properties of 3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid?
3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid has a molecular weight of 342.36 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid is sourced from PubChem (CID 138518214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).