2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(3,3-difluoroazetidin-1-yl)-5-methoxy-2-pyridinyl]-4-methylbenzamide

C24H28F2N4O2 — CID 170178945

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(3,3-difluoroazetidin-1-yl)-5-methoxy-2-pyridinyl]-4-methylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(C)cc2N2CCC3(CC2)CC3)nc1N1CC(F)(F)C1
InChIInChI=1S/C24H28F2N4O2/c1-16-3-4-17(18(13-16)29-11-9-23(7-8-23)10-12-29)22(31)28-20-6-5-19(32-2)21(27-20)30-14-24(25,26)15-30/h3-6,13H,7-12,14-15H2,1-2H3,(H,27,28,31)
InChIKeyBEFFKJGGHFXKSW-UHFFFAOYSA-N
MW442.51 g/mol
LogP4.49
Rot. Bonds5

About 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(3,3-difluoroazetidin-1-yl)-5-methoxy-2-pyridinyl]-4-methylbenzamide

2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(3,3-difluoroazetidin-1-yl)-5-methoxy-2-pyridinyl]-4-methylbenzamide (PubChem CID 170178945) has the molecular formula C24H28F2N4O2 and a molecular weight of 442.51 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(3,3-difluoroazetidin-1-yl)-5-methoxy-2-pyridinyl]-4-methylbenzamide.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(3,3-difluoroazetidin-1-yl)-5-methoxy-2-pyridinyl]-4-methylbenzamide
PubChem CID170178945
Molecular FormulaC24H28F2N4O2
Molecular Weight442.51 g/mol
Exact Mass442.22
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(3,3-difluoroazetidin-1-yl)-5-methoxy-2-pyridinyl]-4-methylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(C)cc2N2CCC3(CC2)CC3)nc1N1CC(F)(F)C1
InChIInChI=1S/C24H28F2N4O2/c1-16-3-4-17(18(13-16)29-11-9-23(7-8-23)10-12-29)22(31)28-20-6-5-19(32-2)21(27-20)30-14-24(25,26)15-30/h3-6,13H,7-12,14-15H2,1-2H3,(H,27,28,31)
InChIKeyBEFFKJGGHFXKSW-UHFFFAOYSA-N
XLogP4.49
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(3,3-difluoroazetidin-1-yl)-5-methoxy-2-pyridinyl]-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(4,4-difluoropiperidin-1-yl)-5-nitro-2-pyridinyl]-4-methylbenzamide
CID 170178873
2-[3-(6-azaspiro[2.5]octan-6-yl)-4-[[6-(4,4-difluoropiperidin-1-yl)-5-methoxy-2-pyridinyl]carbamoyl]anilino]sulfanylethyl 2-methylpropanoate
CID 170179156
2-(6-azaspiro[2.5]octan-6-yl)-4-iodo-N-[5-methoxy-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]benzamide
CID 170178915
2-(6-azaspiro[2.5]octan-6-yl)-4-iodo-N-[5-methoxy-6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]benzamide
CID 170178926
2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(4,4-difluoropiperidin-1-yl)-5-(fluoromethoxy)-2-pyridinyl]-4-[[(2R)-1-hydroxypropan-2-yl]amino]sulfanylbenzamide
CID 170178623
N-[2-(6-azaspiro[2.5]octan-6-yl)-4-bromophenyl]-6-(4,4-difluoropiperidin-1-yl)-5-methoxypyridine-2-carboxamide
CID 170178984
2-(6-azaspiro[2.5]octan-6-yl)-N-[2-(3,3-difluoroazetidin-1-yl)-6-methylpyrimidin-4-yl]-4-[(1-methylcyclopropyl)sulfonylamino]benzamide
CID 147370060
2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfanylamino)-N-[5-methoxy-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]benzamide
CID 170178913
N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-6-(3,3-difluoroazetidin-1-yl)-5-methoxypyridine-2-carboxamide
CID 170179281
2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[6-(3,3-difluorocyclobutyl)-4-methyl-2-pyridinyl]benzamide
CID 152943194
2-(6-azaspiro[2.5]octan-6-yl)-N-[2-(3,3-difluoroazetidin-1-yl)-6-methylpyrimidin-4-yl]-4-(propylsulfonylamino)benzamide
CID 163979834
2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]benzamide
CID 163698428

Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(3,3-difluoroazetidin-1-yl)-5-methoxy-2-pyridinyl]-4-methylbenzamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(3,3-difluoroazetidin-1-yl)-5-methoxy-2-pyridinyl]-4-methylbenzamide (CID 170178945) is 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(3,3-difluoroazetidin-1-yl)-5-methoxy-2-pyridinyl]-4-methylbenzamide.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(3,3-difluoroazetidin-1-yl)-5-methoxy-2-pyridinyl]-4-methylbenzamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(3,3-difluoroazetidin-1-yl)-5-methoxy-2-pyridinyl]-4-methylbenzamide is COc1ccc(NC(=O)c2ccc(C)cc2N2CCC3(CC2)CC3)nc1N1CC(F)(F)C1.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(3,3-difluoroazetidin-1-yl)-5-methoxy-2-pyridinyl]-4-methylbenzamide?
The InChIKey is BEFFKJGGHFXKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N4O2/c1-16-3-4-17(18(13-16)29-11-9-23(7-8-23)10-12-29)22(31)28-20-6-5-19(32-2)21(27-20)30-14-24(25,26)15-30/h3-6,13H,7-12,14-15H2,1-2H3,(H,27,28,31).
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(3,3-difluoroazetidin-1-yl)-5-methoxy-2-pyridinyl]-4-methylbenzamide?
2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(3,3-difluoroazetidin-1-yl)-5-methoxy-2-pyridinyl]-4-methylbenzamide has a molecular weight of 442.51 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(3,3-difluoroazetidin-1-yl)-5-methoxy-2-pyridinyl]-4-methylbenzamide is sourced from PubChem (CID 170178945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).