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

C27H25F3N4O — CID 143644356

IUPAC3-methylidene-1-phenyl-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESC=C1N(c2ccccn2)C(c2ccccc2)C12CCN(C(=O)Nc1ccc(C(F)(F)F)cc1)CC2
InChIInChI=1S/C27H25F3N4O/c1-19-26(24(20-7-3-2-4-8-20)34(19)23-9-5-6-16-31-23)14-17-33(18-15-26)25(35)32-22-12-10-21(11-13-22)27(28,29)30/h2-13,16,24H,1,14-15,17-18H2,(H,32,35)
InChIKeyCTCRLRLRZHWMJJ-UHFFFAOYSA-N
MW478.52 g/mol
LogP6.49
Rot. Bonds3

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

3-methylidene-1-phenyl-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 143644356) has the molecular formula C27H25F3N4O and a molecular weight of 478.52 g/mol. Its IUPAC name is 3-methylidene-1-phenyl-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound Name3-methylidene-1-phenyl-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID143644356
Molecular FormulaC27H25F3N4O
Molecular Weight478.52 g/mol
Exact Mass478.20
IUPAC Name3-methylidene-1-phenyl-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESC=C1N(c2ccccn2)C(c2ccccc2)C12CCN(C(=O)Nc1ccc(C(F)(F)F)cc1)CC2
InChIInChI=1S/C27H25F3N4O/c1-19-26(24(20-7-3-2-4-8-20)34(19)23-9-5-6-16-31-23)14-17-33(18-15-26)25(35)32-22-12-10-21(11-13-22)27(28,29)30/h2-13,16,24H,1,14-15,17-18H2,(H,32,35)
InChIKeyCTCRLRLRZHWMJJ-UHFFFAOYSA-N
XLogP6.49
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.52
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1-phenyl-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of 3-methylidene-1-phenyl-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide (CID 143644356) is 3-methylidene-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-methylidene-1-phenyl-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for 3-methylidene-1-phenyl-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide is C=C1N(c2ccccn2)C(c2ccccc2)C12CCN(C(=O)Nc1ccc(C(F)(F)F)cc1)CC2.
What is the InChIKey of 3-methylidene-1-phenyl-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is CTCRLRLRZHWMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N4O/c1-19-26(24(20-7-3-2-4-8-20)34(19)23-9-5-6-16-31-23)14-17-33(18-15-26)25(35)32-22-12-10-21(11-13-22)27(28,29)30/h2-13,16,24H,1,14-15,17-18H2,(H,32,35).
What are the key properties of 3-methylidene-1-phenyl-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide?
3-methylidene-1-phenyl-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 478.52 g/mol, XLogP of 6.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-phenyl-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 143644356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).