N-(4-methoxyoxolan-3-yl)-3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide

C18H20F3N3O3 — CID 164615458

IUPACN-(4-methoxyoxolan-3-yl)-3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
SMILESCOC1COCC1NC(=O)c1[nH]cc(Cc2ccc(C(F)(F)F)nc2)c1C
InChIInChI=1S/C18H20F3N3O3/c1-10-12(5-11-3-4-15(22-6-11)18(19,20)21)7-23-16(10)17(25)24-13-8-27-9-14(13)26-2/h3-4,6-7,13-14,23H,5,8-9H2,1-2H3,(H,24,25)
InChIKeyUPJGRFDTKPHYFG-UHFFFAOYSA-N
MW383.37 g/mol
LogP2.47
Rot. Bonds5

About N-(4-methoxyoxolan-3-yl)-3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide

N-(4-methoxyoxolan-3-yl)-3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 164615458) has the molecular formula C18H20F3N3O3 and a molecular weight of 383.37 g/mol. Its IUPAC name is N-(4-methoxyoxolan-3-yl)-3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyoxolan-3-yl)-3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID164615458
Molecular FormulaC18H20F3N3O3
Molecular Weight383.37 g/mol
Exact Mass383.15
IUPAC NameN-(4-methoxyoxolan-3-yl)-3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
SMILESCOC1COCC1NC(=O)c1[nH]cc(Cc2ccc(C(F)(F)F)nc2)c1C
InChIInChI=1S/C18H20F3N3O3/c1-10-12(5-11-3-4-15(22-6-11)18(19,20)21)7-23-16(10)17(25)24-13-8-27-9-14(13)26-2/h3-4,6-7,13-14,23H,5,8-9H2,1-2H3,(H,24,25)
InChIKeyUPJGRFDTKPHYFG-UHFFFAOYSA-N
XLogP2.47
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-methoxyoxolan-3-yl)-3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-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 N-(4-methoxyoxolan-3-yl)-3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(4-methoxyoxolan-3-yl)-3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide (CID 164615458) is N-(4-methoxyoxolan-3-yl)-3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(4-methoxyoxolan-3-yl)-3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(4-methoxyoxolan-3-yl)-3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide is COC1COCC1NC(=O)c1[nH]cc(Cc2ccc(C(F)(F)F)nc2)c1C.
What is the InChIKey of N-(4-methoxyoxolan-3-yl)-3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is UPJGRFDTKPHYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O3/c1-10-12(5-11-3-4-15(22-6-11)18(19,20)21)7-23-16(10)17(25)24-13-8-27-9-14(13)26-2/h3-4,6-7,13-14,23H,5,8-9H2,1-2H3,(H,24,25).
What are the key properties of N-(4-methoxyoxolan-3-yl)-3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide?
N-(4-methoxyoxolan-3-yl)-3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 383.37 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyoxolan-3-yl)-3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 164615458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).