N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C20H22F3N3O2 — CID 134025825

IUPACN-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1ccccc1C(CNC(=O)c1ccc(C(F)(F)F)nc1)N1CCCC1
InChIInChI=1S/C20H22F3N3O2/c1-28-17-7-3-2-6-15(17)16(26-10-4-5-11-26)13-25-19(27)14-8-9-18(24-12-14)20(21,22)23/h2-3,6-9,12,16H,4-5,10-11,13H2,1H3,(H,25,27)
InChIKeyDYYSFWPAGLVGMO-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.68
Rot. Bonds6

About N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 134025825) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID134025825
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC NameN-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1ccccc1C(CNC(=O)c1ccc(C(F)(F)F)nc1)N1CCCC1
InChIInChI=1S/C20H22F3N3O2/c1-28-17-7-3-2-6-15(17)16(26-10-4-5-11-26)13-25-19(27)14-8-9-18(24-12-14)20(21,22)23/h2-3,6-9,12,16H,4-5,10-11,13H2,1H3,(H,25,27)
InChIKeyDYYSFWPAGLVGMO-UHFFFAOYSA-N
XLogP3.68
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate
CID 60533855
4-(difluoromethylsulfonyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 60533875
N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 41187538
3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 60533969
3-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide
CID 43044899
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 25335595
3-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43006303
4-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55352591
5-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 55854474
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-3-carboxamide
CID 30522983
N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 95570380
3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-prop-2-enoxybenzamide
CID 55950107

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 134025825) is N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-(trifluoromethyl)pyridine-3-carboxamide is COc1ccccc1C(CNC(=O)c1ccc(C(F)(F)F)nc1)N1CCCC1.
What is the InChIKey of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is DYYSFWPAGLVGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-28-17-7-3-2-6-15(17)16(26-10-4-5-11-26)13-25-19(27)14-8-9-18(24-12-14)20(21,22)23/h2-3,6-9,12,16H,4-5,10-11,13H2,1H3,(H,25,27).
What are the key properties of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 393.41 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 134025825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).