5-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylic acid

C15H15N3O2 — CID 82487874

IUPAC5-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylic acid
SMILESNc1cnc(N2CCc3ccccc3C2)c(C(=O)O)c1
InChIInChI=1S/C15H15N3O2/c16-12-7-13(15(19)20)14(17-8-12)18-6-5-10-3-1-2-4-11(10)9-18/h1-4,7-8H,5-6,9,16H2,(H,19,20)
InChIKeyWDVONBCQSIYBCT-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.92
Rot. Bonds2

About 5-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylic acid

5-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylic acid (PubChem CID 82487874) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylic acid
PubChem CID82487874
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name5-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylic acid
SMILESNc1cnc(N2CCc3ccccc3C2)c(C(=O)O)c1
InChIInChI=1S/C15H15N3O2/c16-12-7-13(15(19)20)14(17-8-12)18-6-5-10-3-1-2-4-11(10)9-18/h1-4,7-8H,5-6,9,16H2,(H,19,20)
InChIKeyWDVONBCQSIYBCT-UHFFFAOYSA-N
XLogP1.92
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylic acid (CID 82487874) is 5-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylic acid is Nc1cnc(N2CCc3ccccc3C2)c(C(=O)O)c1.
What is the InChIKey of 5-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylic acid?
The InChIKey is WDVONBCQSIYBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c16-12-7-13(15(19)20)14(17-8-12)18-6-5-10-3-1-2-4-11(10)9-18/h1-4,7-8H,5-6,9,16H2,(H,19,20).
What are the key properties of 5-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylic acid?
5-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 82487874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).