N-[2-(3,5-difluorophenyl)-7-hydroxy-7-methyl-1-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyridine-4-carboxamide

C23H25F2N3O3 — CID 141292635

IUPACN-[2-(3,5-difluorophenyl)-7-hydroxy-7-methyl-1-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2CC(C)(O)CC3(CCN(c4cc(F)cc(F)c4)C3=O)C2)ccn1
InChIInChI=1S/C23H25F2N3O3/c1-14-7-15(3-5-26-14)20(29)27-18-11-22(2,31)13-23(12-18)4-6-28(21(23)30)19-9-16(24)8-17(25)10-19/h3,5,7-10,18,31H,4,6,11-13H2,1-2H3,(H,27,29)
InChIKeyDIBBUXMADHCWCN-UHFFFAOYSA-N
MW429.47 g/mol
LogP3.12
Rot. Bonds3

About N-[2-(3,5-difluorophenyl)-7-hydroxy-7-methyl-1-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyridine-4-carboxamide

N-[2-(3,5-difluorophenyl)-7-hydroxy-7-methyl-1-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyridine-4-carboxamide (PubChem CID 141292635) has the molecular formula C23H25F2N3O3 and a molecular weight of 429.47 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)-7-hydroxy-7-methyl-1-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)-7-hydroxy-7-methyl-1-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyridine-4-carboxamide
PubChem CID141292635
Molecular FormulaC23H25F2N3O3
Molecular Weight429.47 g/mol
Exact Mass429.19
IUPAC NameN-[2-(3,5-difluorophenyl)-7-hydroxy-7-methyl-1-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2CC(C)(O)CC3(CCN(c4cc(F)cc(F)c4)C3=O)C2)ccn1
InChIInChI=1S/C23H25F2N3O3/c1-14-7-15(3-5-26-14)20(29)27-18-11-22(2,31)13-23(12-18)4-6-28(21(23)30)19-9-16(24)8-17(25)10-19/h3,5,7-10,18,31H,4,6,11-13H2,1-2H3,(H,27,29)
InChIKeyDIBBUXMADHCWCN-UHFFFAOYSA-N
XLogP3.12
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)-7-hydroxy-7-methyl-1-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyridine-4-carboxamide?
The IUPAC name of N-[2-(3,5-difluorophenyl)-7-hydroxy-7-methyl-1-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyridine-4-carboxamide (CID 141292635) is N-[2-(3,5-difluorophenyl)-7-hydroxy-7-methyl-1-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)-7-hydroxy-7-methyl-1-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-[2-(3,5-difluorophenyl)-7-hydroxy-7-methyl-1-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyridine-4-carboxamide is Cc1cc(C(=O)NC2CC(C)(O)CC3(CCN(c4cc(F)cc(F)c4)C3=O)C2)ccn1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)-7-hydroxy-7-methyl-1-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyridine-4-carboxamide?
The InChIKey is DIBBUXMADHCWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O3/c1-14-7-15(3-5-26-14)20(29)27-18-11-22(2,31)13-23(12-18)4-6-28(21(23)30)19-9-16(24)8-17(25)10-19/h3,5,7-10,18,31H,4,6,11-13H2,1-2H3,(H,27,29).
What are the key properties of N-[2-(3,5-difluorophenyl)-7-hydroxy-7-methyl-1-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyridine-4-carboxamide?
N-[2-(3,5-difluorophenyl)-7-hydroxy-7-methyl-1-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyridine-4-carboxamide has a molecular weight of 429.47 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)-7-hydroxy-7-methyl-1-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 141292635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).