3-oxo-1-phenyl-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide

C26H23F3N4O2 — CID 24953805

IUPAC3-oxo-1-phenyl-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCC2(CC1)C(=O)N(c1ccccn1)C2c1ccccc1
InChIInChI=1S/C26H23F3N4O2/c27-26(28,29)19-9-11-20(12-10-19)31-24(35)32-16-13-25(14-17-32)22(18-6-2-1-3-7-18)33(23(25)34)21-8-4-5-15-30-21/h1-12,15,22H,13-14,16-17H2,(H,31,35)
InChIKeyJJYMDGAAHPIJQC-UHFFFAOYSA-N
MW480.49 g/mol
LogP5.50
Rot. Bonds3

About 3-oxo-1-phenyl-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide

3-oxo-1-phenyl-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 24953805) has the molecular formula C26H23F3N4O2 and a molecular weight of 480.49 g/mol. Its IUPAC name is 3-oxo-1-phenyl-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound Name3-oxo-1-phenyl-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID24953805
Molecular FormulaC26H23F3N4O2
Molecular Weight480.49 g/mol
Exact Mass480.18
IUPAC Name3-oxo-1-phenyl-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCC2(CC1)C(=O)N(c1ccccn1)C2c1ccccc1
InChIInChI=1S/C26H23F3N4O2/c27-26(28,29)19-9-11-20(12-10-19)31-24(35)32-16-13-25(14-17-32)22(18-6-2-1-3-7-18)33(23(25)34)21-8-4-5-15-30-21/h1-12,15,22H,13-14,16-17H2,(H,31,35)
InChIKeyJJYMDGAAHPIJQC-UHFFFAOYSA-N
XLogP5.50
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.49
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-1-phenyl-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of 3-oxo-1-phenyl-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide (CID 24953805) is 3-oxo-1-phenyl-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for 3-oxo-1-phenyl-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for 3-oxo-1-phenyl-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC2(CC1)C(=O)N(c1ccccn1)C2c1ccccc1.
What is the InChIKey of 3-oxo-1-phenyl-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is JJYMDGAAHPIJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O2/c27-26(28,29)19-9-11-20(12-10-19)31-24(35)32-16-13-25(14-17-32)22(18-6-2-1-3-7-18)33(23(25)34)21-8-4-5-15-30-21/h1-12,15,22H,13-14,16-17H2,(H,31,35).
What are the key properties of 3-oxo-1-phenyl-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide?
3-oxo-1-phenyl-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 480.49 g/mol, XLogP of 5.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-1-phenyl-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 24953805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).