N-[2-(6-azaspiro[2.5]octan-6-yl)-4-bromophenyl]-6-(4,4-difluoropiperidin-1-yl)-5-methoxypyridine-2-carboxamide

C25H29BrF2N4O2 — CID 170178984

IUPACN-[2-(6-azaspiro[2.5]octan-6-yl)-4-bromophenyl]-6-(4,4-difluoropiperidin-1-yl)-5-methoxypyridine-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(Br)cc2N2CCC3(CC2)CC3)nc1N1CCC(F)(F)CC1
InChIInChI=1S/C25H29BrF2N4O2/c1-34-21-5-4-19(29-22(21)32-14-10-25(27,28)11-15-32)23(33)30-18-3-2-17(26)16-20(18)31-12-8-24(6-7-24)9-13-31/h2-5,16H,6-15H2,1H3,(H,30,33)
InChIKeyUNARLJKEYMHCOT-UHFFFAOYSA-N
MW535.43 g/mol
LogP5.72
Rot. Bonds5

About N-[2-(6-azaspiro[2.5]octan-6-yl)-4-bromophenyl]-6-(4,4-difluoropiperidin-1-yl)-5-methoxypyridine-2-carboxamide

N-[2-(6-azaspiro[2.5]octan-6-yl)-4-bromophenyl]-6-(4,4-difluoropiperidin-1-yl)-5-methoxypyridine-2-carboxamide (PubChem CID 170178984) has the molecular formula C25H29BrF2N4O2 and a molecular weight of 535.43 g/mol. Its IUPAC name is N-[2-(6-azaspiro[2.5]octan-6-yl)-4-bromophenyl]-6-(4,4-difluoropiperidin-1-yl)-5-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(6-azaspiro[2.5]octan-6-yl)-4-bromophenyl]-6-(4,4-difluoropiperidin-1-yl)-5-methoxypyridine-2-carboxamide
PubChem CID170178984
Molecular FormulaC25H29BrF2N4O2
Molecular Weight535.43 g/mol
Exact Mass534.14
IUPAC NameN-[2-(6-azaspiro[2.5]octan-6-yl)-4-bromophenyl]-6-(4,4-difluoropiperidin-1-yl)-5-methoxypyridine-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(Br)cc2N2CCC3(CC2)CC3)nc1N1CCC(F)(F)CC1
InChIInChI=1S/C25H29BrF2N4O2/c1-34-21-5-4-19(29-22(21)32-14-10-25(27,28)11-15-32)23(33)30-18-3-2-17(26)16-20(18)31-12-8-24(6-7-24)9-13-31/h2-5,16H,6-15H2,1H3,(H,30,33)
InChIKeyUNARLJKEYMHCOT-UHFFFAOYSA-N
XLogP5.72
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.43
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(6-azaspiro[2.5]octan-6-yl)-6-[[(2R)-1-hydroxypropan-2-yl]amino]sulfanyl-3-pyridinyl]-6-(4,4-difluoropiperidin-1-yl)-5-methoxypyridine-2-carboxamide
CID 170178559
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
N-[4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfanylamino)-3-pyridinyl]-6-(4-fluoropiperidin-1-yl)-5-methoxypyridine-2-carboxamide
CID 170178545
2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(3,3-difluoroazetidin-1-yl)-5-methoxy-2-pyridinyl]-4-methylbenzamide
CID 170178945
N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfanylamino)phenyl]-6-(4,4-difluoropiperidin-1-yl)-5-nitropyridine-2-carboxamide
CID 170178892
2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]benzamide
CID 163698428
N-[4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylamino)sulfanyl-3-pyridinyl]-5-methoxy-6-[(2R)-2-methylmorpholin-4-yl]pyridine-2-carboxamide
CID 170178552
methyl 6-[1-[2-(6-azaspiro[2.5]octan-6-yl)-4-bromophenyl]triazol-4-yl]-2-(4,4-difluoropiperidin-1-yl)pyrimidine-4-carboxylate
CID 170374365
N-(5-bromo-2-methoxyphenyl)-6-methylpyridine-2-carboxamide
CID 47317681
2-[[3-(6-azaspiro[2.5]octan-6-yl)-4-[[7-(4,4-difluoropiperidin-1-yl)-1-methylpyrrolo[2,3-c]pyridine-5-carbonyl]amino]phenyl]sulfamoyl]ethyl acetate
CID 176791613
N-[2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2S)-1-hydroxypropan-2-yl]sulfanylamino]phenyl]-5-(fluoromethoxy)-6-[(2R)-2-methylmorpholin-4-yl]pyridine-2-carboxamide
CID 170179413
4-bromo-N-[3-(4,4-difluoropiperidin-1-yl)-4-methoxyphenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 172609690

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-azaspiro[2.5]octan-6-yl)-4-bromophenyl]-6-(4,4-difluoropiperidin-1-yl)-5-methoxypyridine-2-carboxamide?
The IUPAC name of N-[2-(6-azaspiro[2.5]octan-6-yl)-4-bromophenyl]-6-(4,4-difluoropiperidin-1-yl)-5-methoxypyridine-2-carboxamide (CID 170178984) is N-[2-(6-azaspiro[2.5]octan-6-yl)-4-bromophenyl]-6-(4,4-difluoropiperidin-1-yl)-5-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-[2-(6-azaspiro[2.5]octan-6-yl)-4-bromophenyl]-6-(4,4-difluoropiperidin-1-yl)-5-methoxypyridine-2-carboxamide?
The canonical SMILES for N-[2-(6-azaspiro[2.5]octan-6-yl)-4-bromophenyl]-6-(4,4-difluoropiperidin-1-yl)-5-methoxypyridine-2-carboxamide is COc1ccc(C(=O)Nc2ccc(Br)cc2N2CCC3(CC2)CC3)nc1N1CCC(F)(F)CC1.
What is the InChIKey of N-[2-(6-azaspiro[2.5]octan-6-yl)-4-bromophenyl]-6-(4,4-difluoropiperidin-1-yl)-5-methoxypyridine-2-carboxamide?
The InChIKey is UNARLJKEYMHCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29BrF2N4O2/c1-34-21-5-4-19(29-22(21)32-14-10-25(27,28)11-15-32)23(33)30-18-3-2-17(26)16-20(18)31-12-8-24(6-7-24)9-13-31/h2-5,16H,6-15H2,1H3,(H,30,33).
What are the key properties of N-[2-(6-azaspiro[2.5]octan-6-yl)-4-bromophenyl]-6-(4,4-difluoropiperidin-1-yl)-5-methoxypyridine-2-carboxamide?
N-[2-(6-azaspiro[2.5]octan-6-yl)-4-bromophenyl]-6-(4,4-difluoropiperidin-1-yl)-5-methoxypyridine-2-carboxamide has a molecular weight of 535.43 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-azaspiro[2.5]octan-6-yl)-4-bromophenyl]-6-(4,4-difluoropiperidin-1-yl)-5-methoxypyridine-2-carboxamide is sourced from PubChem (CID 170178984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).