6-[(2-hydroxy-1,3-dihydroinden-2-yl)methylamino]pyridine-2-carboxylic acid

C16H16N2O3 — CID 136548092

IUPAC6-[(2-hydroxy-1,3-dihydroinden-2-yl)methylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NCC2(O)Cc3ccccc3C2)n1
InChIInChI=1S/C16H16N2O3/c19-15(20)13-6-3-7-14(18-13)17-10-16(21)8-11-4-1-2-5-12(11)9-16/h1-7,21H,8-10H2,(H,17,18)(H,19,20)
InChIKeyFLUPOCWTNGLZOU-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.72
Rot. Bonds4

About 6-[(2-hydroxy-1,3-dihydroinden-2-yl)methylamino]pyridine-2-carboxylic acid

6-[(2-hydroxy-1,3-dihydroinden-2-yl)methylamino]pyridine-2-carboxylic acid (PubChem CID 136548092) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 6-[(2-hydroxy-1,3-dihydroinden-2-yl)methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-hydroxy-1,3-dihydroinden-2-yl)methylamino]pyridine-2-carboxylic acid
PubChem CID136548092
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name6-[(2-hydroxy-1,3-dihydroinden-2-yl)methylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NCC2(O)Cc3ccccc3C2)n1
InChIInChI=1S/C16H16N2O3/c19-15(20)13-6-3-7-14(18-13)17-10-16(21)8-11-4-1-2-5-12(11)9-16/h1-7,21H,8-10H2,(H,17,18)(H,19,20)
InChIKeyFLUPOCWTNGLZOU-UHFFFAOYSA-N
XLogP1.72
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[(2-hydroxy-1,3-dihydroinden-2-yl)methylamino]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

Frequently Asked Questions

What is the IUPAC name of 6-[(2-hydroxy-1,3-dihydroinden-2-yl)methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2-hydroxy-1,3-dihydroinden-2-yl)methylamino]pyridine-2-carboxylic acid (CID 136548092) is 6-[(2-hydroxy-1,3-dihydroinden-2-yl)methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2-hydroxy-1,3-dihydroinden-2-yl)methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2-hydroxy-1,3-dihydroinden-2-yl)methylamino]pyridine-2-carboxylic acid is O=C(O)c1cccc(NCC2(O)Cc3ccccc3C2)n1.
What is the InChIKey of 6-[(2-hydroxy-1,3-dihydroinden-2-yl)methylamino]pyridine-2-carboxylic acid?
The InChIKey is FLUPOCWTNGLZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-15(20)13-6-3-7-14(18-13)17-10-16(21)8-11-4-1-2-5-12(11)9-16/h1-7,21H,8-10H2,(H,17,18)(H,19,20).
What are the key properties of 6-[(2-hydroxy-1,3-dihydroinden-2-yl)methylamino]pyridine-2-carboxylic acid?
6-[(2-hydroxy-1,3-dihydroinden-2-yl)methylamino]pyridine-2-carboxylic acid has a molecular weight of 284.32 g/mol, XLogP of 1.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-hydroxy-1,3-dihydroinden-2-yl)methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 136548092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).