5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylic acid

C16H14N2O3 — CID 43414633

IUPAC5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2CCc3ccccc3C2)cn1
InChIInChI=1S/C16H14N2O3/c19-15(12-5-6-14(16(20)21)17-9-12)18-8-7-11-3-1-2-4-13(11)10-18/h1-6,9H,7-8,10H2,(H,20,21)
InChIKeyGEHSFQFYOCUIAM-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.98
Rot. Bonds2

About 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylic acid

5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylic acid (PubChem CID 43414633) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylic acid
PubChem CID43414633
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2CCc3ccccc3C2)cn1
InChIInChI=1S/C16H14N2O3/c19-15(12-5-6-14(16(20)21)17-9-12)18-8-7-11-3-1-2-4-13(11)10-18/h1-6,9H,7-8,10H2,(H,20,21)
InChIKeyGEHSFQFYOCUIAM-UHFFFAOYSA-N
XLogP1.98
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyridine-2-carboxylic acid
CID 43414813
(5-amino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 81319420
5-[5-(dimethylsulfamoyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridine-2-carboxylic acid
CID 120913784
(6-fluoro-3-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 63980528
[6-[benzyl(ethyl)amino]-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109157533
3,4-dihydro-1H-isoquinolin-2-yl-[6-(2,5-dimethylanilino)-3-pyridinyl]methanone
CID 109158432
3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109154697
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrimidine-4-carboxylic acid
CID 117212978
3,4-dihydro-1H-isoquinolin-2-yl-[6-(3,5-dimethylanilino)-3-pyridinyl]methanone
CID 109158434
[6-(1-benzylpyrazol-4-yl)-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 4161295
3,4-dihydro-1H-isoquinolin-2-yl-[5-(ethylamino)-2-pyridinyl]methanone
CID 104639927
(5-anilinopyrazin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109284050

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylic acid (CID 43414633) is 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylic acid is O=C(O)c1ccc(C(=O)N2CCc3ccccc3C2)cn1.
What is the InChIKey of 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylic acid?
The InChIKey is GEHSFQFYOCUIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-15(12-5-6-14(16(20)21)17-9-12)18-8-7-11-3-1-2-4-13(11)10-18/h1-6,9H,7-8,10H2,(H,20,21).
What are the key properties of 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylic acid?
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 43414633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).