N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide

C23H24F3N3O3 — CID 78858550

IUPACN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C)n(Cc2ccccn2)c1C
InChIInChI=1S/C23H24F3N3O3/c1-15-12-19(16(2)29(15)14-18-6-4-5-9-27-18)22(30)28-20-13-17(23(24,25)26)7-8-21(20)32-11-10-31-3/h4-9,12-13H,10-11,14H2,1-3H3,(H,28,30)
InChIKeyUQHSETCJSUPSAR-UHFFFAOYSA-N
MW447.46 g/mol
LogP4.84
Rot. Bonds8

About N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide

N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide (PubChem CID 78858550) has the molecular formula C23H24F3N3O3 and a molecular weight of 447.46 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
PubChem CID78858550
Molecular FormulaC23H24F3N3O3
Molecular Weight447.46 g/mol
Exact Mass447.18
IUPAC NameN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C)n(Cc2ccccn2)c1C
InChIInChI=1S/C23H24F3N3O3/c1-15-12-19(16(2)29(15)14-18-6-4-5-9-27-18)22(30)28-20-13-17(23(24,25)26)7-8-21(20)32-11-10-31-3/h4-9,12-13H,10-11,14H2,1-3H3,(H,28,30)
InChIKeyUQHSETCJSUPSAR-UHFFFAOYSA-N
XLogP4.84
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylquinoline-4-carboxamide
CID 26177646
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]isoquinoline-1-carboxamide
CID 60604524
N-(4-ethoxyphenyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 39887261
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 17417002
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 26177639
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-oxochromene-3-carboxamide
CID 9268804
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 17439153
2,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 78863745
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 26177558
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methyl-5-methylsulfanylbenzamide
CID 55532465
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2,6-dimethylquinoline-3-carboxamide
CID 55466432
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)acetamide
CID 2632480

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
The IUPAC name of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide (CID 78858550) is N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide is COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C)n(Cc2ccccn2)c1C.
What is the InChIKey of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
The InChIKey is UQHSETCJSUPSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O3/c1-15-12-19(16(2)29(15)14-18-6-4-5-9-27-18)22(30)28-20-13-17(23(24,25)26)7-8-21(20)32-11-10-31-3/h4-9,12-13H,10-11,14H2,1-3H3,(H,28,30).
What are the key properties of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide has a molecular weight of 447.46 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 78858550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).