2-amino-5-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]pyridine-3-carboxylic acid

C17H17N3O3 — CID 175443481

IUPAC2-amino-5-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]pyridine-3-carboxylic acid
SMILESNc1ncc(-c2ccc(N3CC4(COC4)C3)cc2)cc1C(=O)O
InChIInChI=1S/C17H17N3O3/c18-15-14(16(21)22)5-12(6-19-15)11-1-3-13(4-2-11)20-7-17(8-20)9-23-10-17/h1-6H,7-10H2,(H2,18,19)(H,21,22)
InChIKeyKMUSZLIOUKLTFX-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.87
Rot. Bonds3

About 2-amino-5-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]pyridine-3-carboxylic acid

2-amino-5-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]pyridine-3-carboxylic acid (PubChem CID 175443481) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-amino-5-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]pyridine-3-carboxylic acid
PubChem CID175443481
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name2-amino-5-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]pyridine-3-carboxylic acid
SMILESNc1ncc(-c2ccc(N3CC4(COC4)C3)cc2)cc1C(=O)O
InChIInChI=1S/C17H17N3O3/c18-15-14(16(21)22)5-12(6-19-15)11-1-3-13(4-2-11)20-7-17(8-20)9-23-10-17/h1-6H,7-10H2,(H2,18,19)(H,21,22)
InChIKeyKMUSZLIOUKLTFX-UHFFFAOYSA-N
XLogP1.87
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-5-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]pyridine-3-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 2-amino-5-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-amino-5-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]pyridine-3-carboxylic acid (CID 175443481) is 2-amino-5-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-5-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-5-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]pyridine-3-carboxylic acid is Nc1ncc(-c2ccc(N3CC4(COC4)C3)cc2)cc1C(=O)O.
What is the InChIKey of 2-amino-5-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]pyridine-3-carboxylic acid?
The InChIKey is KMUSZLIOUKLTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c18-15-14(16(21)22)5-12(6-19-15)11-1-3-13(4-2-11)20-7-17(8-20)9-23-10-17/h1-6H,7-10H2,(H2,18,19)(H,21,22).
What are the key properties of 2-amino-5-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]pyridine-3-carboxylic acid?
2-amino-5-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]pyridine-3-carboxylic acid has a molecular weight of 311.34 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 175443481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).