2-[6-[(6-methoxyquinazolin-4-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide

C22H23N5O3 — CID 153496212

IUPAC2-[6-[(6-methoxyquinazolin-4-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
SMILESCOc1ccc2ncnc(NC3CC4(C3)CC(Oc3ncccc3C(N)=O)C4)c2c1
InChIInChI=1S/C22H23N5O3/c1-29-14-4-5-18-17(7-14)20(26-12-25-18)27-13-8-22(9-13)10-15(11-22)30-21-16(19(23)28)3-2-6-24-21/h2-7,12-13,15H,8-11H2,1H3,(H2,23,28)(H,25,26,27)
InChIKeyLLSDGJSAKKPDFZ-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.93
Rot. Bonds6

About 2-[6-[(6-methoxyquinazolin-4-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide

2-[6-[(6-methoxyquinazolin-4-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide (PubChem CID 153496212) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 2-[6-[(6-methoxyquinazolin-4-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound Name2-[6-[(6-methoxyquinazolin-4-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
PubChem CID153496212
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name2-[6-[(6-methoxyquinazolin-4-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
SMILESCOc1ccc2ncnc(NC3CC4(C3)CC(Oc3ncccc3C(N)=O)C4)c2c1
InChIInChI=1S/C22H23N5O3/c1-29-14-4-5-18-17(7-14)20(26-12-25-18)27-13-8-22(9-13)10-15(11-22)30-21-16(19(23)28)3-2-6-24-21/h2-7,12-13,15H,8-11H2,1H3,(H2,23,28)(H,25,26,27)
InChIKeyLLSDGJSAKKPDFZ-UHFFFAOYSA-N
XLogP2.93
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[6-[(6-methoxyquinazolin-4-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-methoxyquinazolin-4-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
The IUPAC name of 2-[6-[(6-methoxyquinazolin-4-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide (CID 153496212) is 2-[6-[(6-methoxyquinazolin-4-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for 2-[6-[(6-methoxyquinazolin-4-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
The canonical SMILES for 2-[6-[(6-methoxyquinazolin-4-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide is COc1ccc2ncnc(NC3CC4(C3)CC(Oc3ncccc3C(N)=O)C4)c2c1.
What is the InChIKey of 2-[6-[(6-methoxyquinazolin-4-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
The InChIKey is LLSDGJSAKKPDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-29-14-4-5-18-17(7-14)20(26-12-25-18)27-13-8-22(9-13)10-15(11-22)30-21-16(19(23)28)3-2-6-24-21/h2-7,12-13,15H,8-11H2,1H3,(H2,23,28)(H,25,26,27).
What are the key properties of 2-[6-[(6-methoxyquinazolin-4-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
2-[6-[(6-methoxyquinazolin-4-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(6-methoxyquinazolin-4-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 153496212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).