2-[(2R)-1-cyclopropylpyrrolidin-2-yl]-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]acetamide

C19H26F3N3O2 — CID 166072132

IUPAC2-[(2R)-1-cyclopropylpyrrolidin-2-yl]-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]acetamide
SMILESCC(C)(COc1ncccc1C(F)(F)F)NC(=O)C[C@H]1CCCN1C1CC1
InChIInChI=1S/C19H26F3N3O2/c1-18(2,12-27-17-15(19(20,21)22)6-3-9-23-17)24-16(26)11-14-5-4-10-25(14)13-7-8-13/h3,6,9,13-14H,4-5,7-8,10-12H2,1-2H3,(H,24,26)/t14-/m1/s1
InChIKeyMFPQOYMKTUMVDQ-CQSZACIVSA-N
MW385.43 g/mol
LogP3.39
Rot. Bonds7

About 2-[(2R)-1-cyclopropylpyrrolidin-2-yl]-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]acetamide

2-[(2R)-1-cyclopropylpyrrolidin-2-yl]-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]acetamide (PubChem CID 166072132) has the molecular formula C19H26F3N3O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 2-[(2R)-1-cyclopropylpyrrolidin-2-yl]-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2R)-1-cyclopropylpyrrolidin-2-yl]-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]acetamide
PubChem CID166072132
Molecular FormulaC19H26F3N3O2
Molecular Weight385.43 g/mol
Exact Mass385.20
IUPAC Name2-[(2R)-1-cyclopropylpyrrolidin-2-yl]-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]acetamide
SMILESCC(C)(COc1ncccc1C(F)(F)F)NC(=O)C[C@H]1CCCN1C1CC1
InChIInChI=1S/C19H26F3N3O2/c1-18(2,12-27-17-15(19(20,21)22)6-3-9-23-17)24-16(26)11-14-5-4-10-25(14)13-7-8-13/h3,6,9,13-14H,4-5,7-8,10-12H2,1-2H3,(H,24,26)/t14-/m1/s1
InChIKeyMFPQOYMKTUMVDQ-CQSZACIVSA-N
XLogP3.39
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-cyclopropylpyrrolidin-2-yl]-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]acetamide?
The IUPAC name of 2-[(2R)-1-cyclopropylpyrrolidin-2-yl]-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]acetamide (CID 166072132) is 2-[(2R)-1-cyclopropylpyrrolidin-2-yl]-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]acetamide.
What is the SMILES notation for 2-[(2R)-1-cyclopropylpyrrolidin-2-yl]-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]acetamide?
The canonical SMILES for 2-[(2R)-1-cyclopropylpyrrolidin-2-yl]-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]acetamide is CC(C)(COc1ncccc1C(F)(F)F)NC(=O)C[C@H]1CCCN1C1CC1.
What is the InChIKey of 2-[(2R)-1-cyclopropylpyrrolidin-2-yl]-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]acetamide?
The InChIKey is MFPQOYMKTUMVDQ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26F3N3O2/c1-18(2,12-27-17-15(19(20,21)22)6-3-9-23-17)24-16(26)11-14-5-4-10-25(14)13-7-8-13/h3,6,9,13-14H,4-5,7-8,10-12H2,1-2H3,(H,24,26)/t14-/m1/s1.
What are the key properties of 2-[(2R)-1-cyclopropylpyrrolidin-2-yl]-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]acetamide?
2-[(2R)-1-cyclopropylpyrrolidin-2-yl]-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]acetamide has a molecular weight of 385.43 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-cyclopropylpyrrolidin-2-yl]-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]acetamide is sourced from PubChem (CID 166072132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).