3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(4,4-difluoropiperidin-1-yl)-5-methylphenyl]pyridine-4-carboxamide

C25H30F2N4O — CID 155781271

IUPAC3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(4,4-difluoropiperidin-1-yl)-5-methylphenyl]pyridine-4-carboxamide
SMILESCc1cc(NC(=O)c2ccncc2N2CCC3(CC2)CC3)cc(N2CCC(F)(F)CC2)c1
InChIInChI=1S/C25H30F2N4O/c1-18-14-19(16-20(15-18)30-12-7-25(26,27)8-13-30)29-23(32)21-2-9-28-17-22(21)31-10-5-24(3-4-24)6-11-31/h2,9,14-17H,3-8,10-13H2,1H3,(H,29,32)
InChIKeyIFHDRIYYHXWUOQ-UHFFFAOYSA-N
MW440.54 g/mol
LogP5.26
Rot. Bonds4

About 3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(4,4-difluoropiperidin-1-yl)-5-methylphenyl]pyridine-4-carboxamide

3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(4,4-difluoropiperidin-1-yl)-5-methylphenyl]pyridine-4-carboxamide (PubChem CID 155781271) has the molecular formula C25H30F2N4O and a molecular weight of 440.54 g/mol. Its IUPAC name is 3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(4,4-difluoropiperidin-1-yl)-5-methylphenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(4,4-difluoropiperidin-1-yl)-5-methylphenyl]pyridine-4-carboxamide
PubChem CID155781271
Molecular FormulaC25H30F2N4O
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Name3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(4,4-difluoropiperidin-1-yl)-5-methylphenyl]pyridine-4-carboxamide
SMILESCc1cc(NC(=O)c2ccncc2N2CCC3(CC2)CC3)cc(N2CCC(F)(F)CC2)c1
InChIInChI=1S/C25H30F2N4O/c1-18-14-19(16-20(15-18)30-12-7-25(26,27)8-13-30)29-23(32)21-2-9-28-17-22(21)31-10-5-24(3-4-24)6-11-31/h2,9,14-17H,3-8,10-13H2,1H3,(H,29,32)
InChIKeyIFHDRIYYHXWUOQ-UHFFFAOYSA-N
XLogP5.26
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(4,4-difluoropiperidin-1-yl)-5-methylphenyl]pyridine-4-carboxamide 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

3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(3,3-difluoropiperidin-1-yl)sulfonyl-4-fluorophenyl]pyridine-4-carboxamide
CID 166629402
2-[4-(difluoromethylidene)piperidin-1-yl]-N-[3-(4,4-difluoropiperidin-1-yl)-5-methylphenyl]-4-(2-hydroxyethylsulfonylamino)benzamide
CID 167273029
3-(4,4-difluoropiperidin-1-yl)-N,5-dimethylaniline
CID 167273261
CID 155780788
CID 155780788
2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(4,4-difluoropiperidin-1-yl)phenyl]-4-(2-hydroxyethylsulfanylamino)benzamide
CID 155780872
3-(3-azaspiro[5.5]undecan-3-yl)pyridine-4-carboxylic acid
CID 114288647
2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(4,4-difluoropiperidin-1-yl)phenyl]-4-[(1-ethynylcyclopropyl)sulfonylamino]benzamide
CID 176805062
2-(6-azaspiro[2.5]octan-6-yl)-N-[3-cyano-5-(3,3-difluoroazetidin-1-yl)phenyl]-4-iodobenzamide
CID 170563398
2-(6-azaspiro[2.5]octan-6-yl)-N-[4-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-6-yl]-4-iodobenzamide
CID 171484741
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-[4-cyclopropyl-3-(4,4-difluoropiperidin-1-yl)phenyl]-4-iodobenzamide
CID 170179125
N-(3,5-dimethylphenyl)-3-(methylamino)pyridine-4-carboxamide
CID 105068321

Frequently Asked Questions

What is the IUPAC name of 3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(4,4-difluoropiperidin-1-yl)-5-methylphenyl]pyridine-4-carboxamide?
The IUPAC name of 3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(4,4-difluoropiperidin-1-yl)-5-methylphenyl]pyridine-4-carboxamide (CID 155781271) is 3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(4,4-difluoropiperidin-1-yl)-5-methylphenyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(4,4-difluoropiperidin-1-yl)-5-methylphenyl]pyridine-4-carboxamide?
The canonical SMILES for 3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(4,4-difluoropiperidin-1-yl)-5-methylphenyl]pyridine-4-carboxamide is Cc1cc(NC(=O)c2ccncc2N2CCC3(CC2)CC3)cc(N2CCC(F)(F)CC2)c1.
What is the InChIKey of 3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(4,4-difluoropiperidin-1-yl)-5-methylphenyl]pyridine-4-carboxamide?
The InChIKey is IFHDRIYYHXWUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2N4O/c1-18-14-19(16-20(15-18)30-12-7-25(26,27)8-13-30)29-23(32)21-2-9-28-17-22(21)31-10-5-24(3-4-24)6-11-31/h2,9,14-17H,3-8,10-13H2,1H3,(H,29,32).
What are the key properties of 3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(4,4-difluoropiperidin-1-yl)-5-methylphenyl]pyridine-4-carboxamide?
3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(4,4-difluoropiperidin-1-yl)-5-methylphenyl]pyridine-4-carboxamide has a molecular weight of 440.54 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(4,4-difluoropiperidin-1-yl)-5-methylphenyl]pyridine-4-carboxamide is sourced from PubChem (CID 155781271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).