2-(2H-benzotriazol-5-yl)-N-[(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide

C18H17F3N6O — CID 146302708

IUPAC2-(2H-benzotriazol-5-yl)-N-[(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
SMILESO=C(Cc1ccc2n[nH]nc2c1)N[C@@H]1CCN(c2ccc(C(F)(F)F)nc2)C1
InChIInChI=1S/C18H17F3N6O/c19-18(20,21)16-4-2-13(9-22-16)27-6-5-12(10-27)23-17(28)8-11-1-3-14-15(7-11)25-26-24-14/h1-4,7,9,12H,5-6,8,10H2,(H,23,28)(H,24,25,26)/t12-/m1/s1
InChIKeySDHAATWYYFBZOO-GFCCVEGCSA-N
MW390.37 g/mol
LogP2.31
Rot. Bonds4

About 2-(2H-benzotriazol-5-yl)-N-[(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide

2-(2H-benzotriazol-5-yl)-N-[(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide (PubChem CID 146302708) has the molecular formula C18H17F3N6O and a molecular weight of 390.37 g/mol. Its IUPAC name is 2-(2H-benzotriazol-5-yl)-N-[(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2H-benzotriazol-5-yl)-N-[(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
PubChem CID146302708
Molecular FormulaC18H17F3N6O
Molecular Weight390.37 g/mol
Exact Mass390.14
IUPAC Name2-(2H-benzotriazol-5-yl)-N-[(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
SMILESO=C(Cc1ccc2n[nH]nc2c1)N[C@@H]1CCN(c2ccc(C(F)(F)F)nc2)C1
InChIInChI=1S/C18H17F3N6O/c19-18(20,21)16-4-2-13(9-22-16)27-6-5-12(10-27)23-17(28)8-11-1-3-14-15(7-11)25-26-24-14/h1-4,7,9,12H,5-6,8,10H2,(H,23,28)(H,24,25,26)/t12-/m1/s1
InChIKeySDHAATWYYFBZOO-GFCCVEGCSA-N
XLogP2.31
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 146302539
2-(1-methylindol-5-yl)-N-[(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 146302783
2-phenoxy-N-[(3S)-1-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidin-3-yl]acetamide
CID 177185716
2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]propanamide
CID 146302542
[(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]methanol
CID 169180430
N-[(3R)-1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 146302602
2-[4-(4-methylpiperazin-1-yl)phenyl]-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 146302608
2-(4-cyclopropylphenyl)-N-[(7R)-5-[6-(trifluoromethyl)-3-pyridinyl]-5-azaspiro[2.4]heptan-7-yl]acetamide
CID 153395234
N-[(3R)-1-(5-methyl-3-pyridinyl)pyrrolidin-3-yl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 165019445
N-[(3S)-1-[3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-5-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidin-3-yl]-2-methoxyacetamide
CID 177185796
2-(3-cyano-1,2,4-triazol-1-yl)-N-[(3S)-1-[2-(trifluoromethyl)quinolin-6-yl]pyrrolidin-3-yl]acetamide
CID 177199247
1-methyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]pyrazole-3-carboxamide
CID 171993484

Frequently Asked Questions

What is the IUPAC name of 2-(2H-benzotriazol-5-yl)-N-[(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(2H-benzotriazol-5-yl)-N-[(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide (CID 146302708) is 2-(2H-benzotriazol-5-yl)-N-[(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(2H-benzotriazol-5-yl)-N-[(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(2H-benzotriazol-5-yl)-N-[(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide is O=C(Cc1ccc2n[nH]nc2c1)N[C@@H]1CCN(c2ccc(C(F)(F)F)nc2)C1.
What is the InChIKey of 2-(2H-benzotriazol-5-yl)-N-[(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide?
The InChIKey is SDHAATWYYFBZOO-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H17F3N6O/c19-18(20,21)16-4-2-13(9-22-16)27-6-5-12(10-27)23-17(28)8-11-1-3-14-15(7-11)25-26-24-14/h1-4,7,9,12H,5-6,8,10H2,(H,23,28)(H,24,25,26)/t12-/m1/s1.
What are the key properties of 2-(2H-benzotriazol-5-yl)-N-[(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide?
2-(2H-benzotriazol-5-yl)-N-[(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide has a molecular weight of 390.37 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-benzotriazol-5-yl)-N-[(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 146302708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).