6-[4-(7-amino-5-azaspiro[2.4]heptan-5-yl)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid

C20H23N3O4 — CID 71281980

IUPAC6-[4-(7-amino-5-azaspiro[2.4]heptan-5-yl)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc(N3CC(N)C4(CC4)C3)cc2)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C20H23N3O4/c1-2-13-16(22-18(25)15(17(13)24)19(26)27)11-3-5-12(6-4-11)23-9-14(21)20(10-23)7-8-20/h3-6,14H,2,7-10,21H2,1H3,(H,26,27)(H2,22,24,25)
InChIKeyFVEFXDGQRZQBBN-UHFFFAOYSA-N
MW369.42 g/mol
LogP1.94
Rot. Bonds4

About 6-[4-(7-amino-5-azaspiro[2.4]heptan-5-yl)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid

6-[4-(7-amino-5-azaspiro[2.4]heptan-5-yl)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71281980) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 6-[4-(7-amino-5-azaspiro[2.4]heptan-5-yl)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-(7-amino-5-azaspiro[2.4]heptan-5-yl)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID71281980
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name6-[4-(7-amino-5-azaspiro[2.4]heptan-5-yl)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc(N3CC(N)C4(CC4)C3)cc2)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C20H23N3O4/c1-2-13-16(22-18(25)15(17(13)24)19(26)27)11-3-5-12(6-4-11)23-9-14(21)20(10-23)7-8-20/h3-6,14H,2,7-10,21H2,1H3,(H,26,27)(H2,22,24,25)
InChIKeyFVEFXDGQRZQBBN-UHFFFAOYSA-N
XLogP1.94
TPSA119.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 6-[4-(7-amino-5-azaspiro[2.4]heptan-5-yl)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-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 6-[4-(7-amino-5-azaspiro[2.4]heptan-5-yl)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-[4-(7-amino-5-azaspiro[2.4]heptan-5-yl)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid (CID 71281980) is 6-[4-(7-amino-5-azaspiro[2.4]heptan-5-yl)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-(7-amino-5-azaspiro[2.4]heptan-5-yl)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-(7-amino-5-azaspiro[2.4]heptan-5-yl)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc(N3CC(N)C4(CC4)C3)cc2)[nH]c(=O)c(C(=O)O)c1O.
What is the InChIKey of 6-[4-(7-amino-5-azaspiro[2.4]heptan-5-yl)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is FVEFXDGQRZQBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-2-13-16(22-18(25)15(17(13)24)19(26)27)11-3-5-12(6-4-11)23-9-14(21)20(10-23)7-8-20/h3-6,14H,2,7-10,21H2,1H3,(H,26,27)(H2,22,24,25).
What are the key properties of 6-[4-(7-amino-5-azaspiro[2.4]heptan-5-yl)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
6-[4-(7-amino-5-azaspiro[2.4]heptan-5-yl)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 369.42 g/mol, XLogP of 1.94, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(7-amino-5-azaspiro[2.4]heptan-5-yl)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71281980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).