5-amino-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-3-carboxylic acid

C15H22N4O2 — CID 81448030

IUPAC5-amino-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-3-carboxylic acid
SMILESCN1CCCC2CN(c3ncc(C(=O)O)cc3N)CCC21
InChIInChI=1S/C15H22N4O2/c1-18-5-2-3-10-9-19(6-4-13(10)18)14-12(16)7-11(8-17-14)15(20)21/h7-8,10,13H,2-6,9,16H2,1H3,(H,20,21)
InChIKeyBMLMXUJPCHSXJN-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.28
Rot. Bonds2

About 5-amino-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-3-carboxylic acid

5-amino-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-3-carboxylic acid (PubChem CID 81448030) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-amino-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-3-carboxylic acid
PubChem CID81448030
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name5-amino-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-3-carboxylic acid
SMILESCN1CCCC2CN(c3ncc(C(=O)O)cc3N)CCC21
InChIInChI=1S/C15H22N4O2/c1-18-5-2-3-10-9-19(6-4-13(10)18)14-12(16)7-11(8-17-14)15(20)21/h7-8,10,13H,2-6,9,16H2,1H3,(H,20,21)
InChIKeyBMLMXUJPCHSXJN-UHFFFAOYSA-N
XLogP1.28
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-3-carboxylic acid (CID 81448030) is 5-amino-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-3-carboxylic acid is CN1CCCC2CN(c3ncc(C(=O)O)cc3N)CCC21.
What is the InChIKey of 5-amino-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-3-carboxylic acid?
The InChIKey is BMLMXUJPCHSXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-18-5-2-3-10-9-19(6-4-13(10)18)14-12(16)7-11(8-17-14)15(20)21/h7-8,10,13H,2-6,9,16H2,1H3,(H,20,21).
What are the key properties of 5-amino-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-3-carboxylic acid?
5-amino-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-3-carboxylic acid has a molecular weight of 290.37 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 81448030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).