N-[2-(4-cyano-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-3-(2-methoxy-5-methylphenoxy)cyclobutane-1-carboxamide

C25H28N4O3 — CID 134430381

IUPACN-[2-(4-cyano-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-3-(2-methoxy-5-methylphenoxy)cyclobutane-1-carboxamide
SMILESCOc1ccc(C)cc1OC1CC(C(=O)NC2CC3(C2)CN(c2cc(C#N)ccn2)C3)C1
InChIInChI=1S/C25H28N4O3/c1-16-3-4-21(31-2)22(7-16)32-20-9-18(10-20)24(30)28-19-11-25(12-19)14-29(15-25)23-8-17(13-26)5-6-27-23/h3-8,18-20H,9-12,14-15H2,1-2H3,(H,28,30)
InChIKeyZMDIUSKXWLAQMP-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.21
Rot. Bonds6

About N-[2-(4-cyano-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-3-(2-methoxy-5-methylphenoxy)cyclobutane-1-carboxamide

N-[2-(4-cyano-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-3-(2-methoxy-5-methylphenoxy)cyclobutane-1-carboxamide (PubChem CID 134430381) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[2-(4-cyano-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-3-(2-methoxy-5-methylphenoxy)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-cyano-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-3-(2-methoxy-5-methylphenoxy)cyclobutane-1-carboxamide
PubChem CID134430381
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC NameN-[2-(4-cyano-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-3-(2-methoxy-5-methylphenoxy)cyclobutane-1-carboxamide
SMILESCOc1ccc(C)cc1OC1CC(C(=O)NC2CC3(C2)CN(c2cc(C#N)ccn2)C3)C1
InChIInChI=1S/C25H28N4O3/c1-16-3-4-21(31-2)22(7-16)32-20-9-18(10-20)24(30)28-19-11-25(12-19)14-29(15-25)23-8-17(13-26)5-6-27-23/h3-8,18-20H,9-12,14-15H2,1-2H3,(H,28,30)
InChIKeyZMDIUSKXWLAQMP-UHFFFAOYSA-N
XLogP3.21
TPSA87.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-cyano-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-3-(2-methoxy-5-methylphenoxy)cyclobutane-1-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 N-[2-(4-cyano-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-3-(2-methoxy-5-methylphenoxy)cyclobutane-1-carboxamide?
The IUPAC name of N-[2-(4-cyano-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-3-(2-methoxy-5-methylphenoxy)cyclobutane-1-carboxamide (CID 134430381) is N-[2-(4-cyano-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-3-(2-methoxy-5-methylphenoxy)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[2-(4-cyano-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-3-(2-methoxy-5-methylphenoxy)cyclobutane-1-carboxamide?
The canonical SMILES for N-[2-(4-cyano-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-3-(2-methoxy-5-methylphenoxy)cyclobutane-1-carboxamide is COc1ccc(C)cc1OC1CC(C(=O)NC2CC3(C2)CN(c2cc(C#N)ccn2)C3)C1.
What is the InChIKey of N-[2-(4-cyano-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-3-(2-methoxy-5-methylphenoxy)cyclobutane-1-carboxamide?
The InChIKey is ZMDIUSKXWLAQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-16-3-4-21(31-2)22(7-16)32-20-9-18(10-20)24(30)28-19-11-25(12-19)14-29(15-25)23-8-17(13-26)5-6-27-23/h3-8,18-20H,9-12,14-15H2,1-2H3,(H,28,30).
What are the key properties of N-[2-(4-cyano-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-3-(2-methoxy-5-methylphenoxy)cyclobutane-1-carboxamide?
N-[2-(4-cyano-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-3-(2-methoxy-5-methylphenoxy)cyclobutane-1-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyano-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-3-(2-methoxy-5-methylphenoxy)cyclobutane-1-carboxamide is sourced from PubChem (CID 134430381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).