N-[4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-3-pyridinyl]-6-(4,4-difluoropiperidin-1-yl)-5-methoxypyridine-2-carboxamide

C26H34F2N6O5S — CID 170178539

IUPACN-[4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-3-pyridinyl]-6-(4,4-difluoropiperidin-1-yl)-5-methoxypyridine-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2cnc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc1N1CCC(F)(F)CC1
InChIInChI=1S/C26H34F2N6O5S/c1-39-21-3-2-18(30-23(21)34-12-8-26(27,28)9-13-34)24(36)31-19-17-29-22(32-40(37,38)15-14-35)16-20(19)33-10-6-25(4-5-25)7-11-33/h2-3,16-17,35H,4-15H2,1H3,(H,29,32)(H,31,36)
InChIKeyNZISYHSXWNUPDG-UHFFFAOYSA-N
MW580.66 g/mol
LogP3.09
Rot. Bonds9

About N-[4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-3-pyridinyl]-6-(4,4-difluoropiperidin-1-yl)-5-methoxypyridine-2-carboxamide

N-[4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-3-pyridinyl]-6-(4,4-difluoropiperidin-1-yl)-5-methoxypyridine-2-carboxamide (PubChem CID 170178539) has the molecular formula C26H34F2N6O5S and a molecular weight of 580.66 g/mol. Its IUPAC name is N-[4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-3-pyridinyl]-6-(4,4-difluoropiperidin-1-yl)-5-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-3-pyridinyl]-6-(4,4-difluoropiperidin-1-yl)-5-methoxypyridine-2-carboxamide
PubChem CID170178539
Molecular FormulaC26H34F2N6O5S
Molecular Weight580.66 g/mol
Exact Mass580.23
IUPAC NameN-[4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-3-pyridinyl]-6-(4,4-difluoropiperidin-1-yl)-5-methoxypyridine-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2cnc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc1N1CCC(F)(F)CC1
InChIInChI=1S/C26H34F2N6O5S/c1-39-21-3-2-18(30-23(21)34-12-8-26(27,28)9-13-34)24(36)31-19-17-29-22(32-40(37,38)15-14-35)16-20(19)33-10-6-25(4-5-25)7-11-33/h2-3,16-17,35H,4-15H2,1H3,(H,29,32)(H,31,36)
InChIKeyNZISYHSXWNUPDG-UHFFFAOYSA-N
XLogP3.09
TPSA136.99 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.66
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-3-pyridinyl]-6-(4,4-difluoropiperidin-1-yl)-5-methoxypyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-3-pyridinyl]-6-(4,4-difluoropiperidin-1-yl)-5-methoxypyridine-2-carboxamide?
The IUPAC name of N-[4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-3-pyridinyl]-6-(4,4-difluoropiperidin-1-yl)-5-methoxypyridine-2-carboxamide (CID 170178539) is N-[4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-3-pyridinyl]-6-(4,4-difluoropiperidin-1-yl)-5-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-[4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-3-pyridinyl]-6-(4,4-difluoropiperidin-1-yl)-5-methoxypyridine-2-carboxamide?
The canonical SMILES for N-[4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-3-pyridinyl]-6-(4,4-difluoropiperidin-1-yl)-5-methoxypyridine-2-carboxamide is COc1ccc(C(=O)Nc2cnc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc1N1CCC(F)(F)CC1.
What is the InChIKey of N-[4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-3-pyridinyl]-6-(4,4-difluoropiperidin-1-yl)-5-methoxypyridine-2-carboxamide?
The InChIKey is NZISYHSXWNUPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34F2N6O5S/c1-39-21-3-2-18(30-23(21)34-12-8-26(27,28)9-13-34)24(36)31-19-17-29-22(32-40(37,38)15-14-35)16-20(19)33-10-6-25(4-5-25)7-11-33/h2-3,16-17,35H,4-15H2,1H3,(H,29,32)(H,31,36).
What are the key properties of N-[4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-3-pyridinyl]-6-(4,4-difluoropiperidin-1-yl)-5-methoxypyridine-2-carboxamide?
N-[4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-3-pyridinyl]-6-(4,4-difluoropiperidin-1-yl)-5-methoxypyridine-2-carboxamide has a molecular weight of 580.66 g/mol, XLogP of 3.09, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-3-pyridinyl]-6-(4,4-difluoropiperidin-1-yl)-5-methoxypyridine-2-carboxamide is sourced from PubChem (CID 170178539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).