2-[6-[(6-methoxyisoquinolin-1-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide

C23H24N4O3 — CID 148753963

IUPAC2-[6-[(6-methoxyisoquinolin-1-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
SMILESCOc1ccc2c(NC3CC4(C3)CC(Oc3ncccc3C(N)=O)C4)nccc2c1
InChIInChI=1S/C23H24N4O3/c1-29-16-4-5-18-14(9-16)6-8-25-21(18)27-15-10-23(11-15)12-17(13-23)30-22-19(20(24)28)3-2-7-26-22/h2-9,15,17H,10-13H2,1H3,(H2,24,28)(H,25,27)
InChIKeyOFFZQHFIVRJHSO-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.54
Rot. Bonds6

About 2-[6-[(6-methoxyisoquinolin-1-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide

2-[6-[(6-methoxyisoquinolin-1-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide (PubChem CID 148753963) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-[6-[(6-methoxyisoquinolin-1-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound Name2-[6-[(6-methoxyisoquinolin-1-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
PubChem CID148753963
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name2-[6-[(6-methoxyisoquinolin-1-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
SMILESCOc1ccc2c(NC3CC4(C3)CC(Oc3ncccc3C(N)=O)C4)nccc2c1
InChIInChI=1S/C23H24N4O3/c1-29-16-4-5-18-14(9-16)6-8-25-21(18)27-15-10-23(11-15)12-17(13-23)30-22-19(20(24)28)3-2-7-26-22/h2-9,15,17H,10-13H2,1H3,(H2,24,28)(H,25,27)
InChIKeyOFFZQHFIVRJHSO-UHFFFAOYSA-N
XLogP3.54
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[6-[(6-methoxyisoquinolin-1-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide 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-[6-[(6-methoxyisoquinolin-1-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
The IUPAC name of 2-[6-[(6-methoxyisoquinolin-1-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide (CID 148753963) is 2-[6-[(6-methoxyisoquinolin-1-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for 2-[6-[(6-methoxyisoquinolin-1-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
The canonical SMILES for 2-[6-[(6-methoxyisoquinolin-1-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide is COc1ccc2c(NC3CC4(C3)CC(Oc3ncccc3C(N)=O)C4)nccc2c1.
What is the InChIKey of 2-[6-[(6-methoxyisoquinolin-1-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
The InChIKey is OFFZQHFIVRJHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-29-16-4-5-18-14(9-16)6-8-25-21(18)27-15-10-23(11-15)12-17(13-23)30-22-19(20(24)28)3-2-7-26-22/h2-9,15,17H,10-13H2,1H3,(H2,24,28)(H,25,27).
What are the key properties of 2-[6-[(6-methoxyisoquinolin-1-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
2-[6-[(6-methoxyisoquinolin-1-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(6-methoxyisoquinolin-1-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 148753963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).