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

C18H17F3N6O — CID 121142854

IUPAC2-(benzotriazol-1-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide
SMILESO=C(Cn1nnc2ccccc21)NC1CCN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C18H17F3N6O/c19-18(20,21)12-5-6-16(22-9-12)26-8-7-13(10-26)23-17(28)11-27-15-4-2-1-3-14(15)24-25-27/h1-6,9,13H,7-8,10-11H2,(H,23,28)
InChIKeyFUVMEELWOHKCPA-UHFFFAOYSA-N
MW390.37 g/mol
LogP2.24
Rot. Bonds4

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

2-(benzotriazol-1-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide (PubChem CID 121142854) has the molecular formula C18H17F3N6O and a molecular weight of 390.37 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide
PubChem CID121142854
Molecular FormulaC18H17F3N6O
Molecular Weight390.37 g/mol
Exact Mass390.14
IUPAC Name2-(benzotriazol-1-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide
SMILESO=C(Cn1nnc2ccccc21)NC1CCN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C18H17F3N6O/c19-18(20,21)12-5-6-16(22-9-12)26-8-7-13(10-26)23-17(28)11-27-15-4-2-1-3-14(15)24-25-27/h1-6,9,13H,7-8,10-11H2,(H,23,28)
InChIKeyFUVMEELWOHKCPA-UHFFFAOYSA-N
XLogP2.24
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-pyrazol-1-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide
CID 121142764
2-naphthalen-2-yloxy-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide
CID 121142759
3-cyclohexyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 121142589
2,2-dimethyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 124760927
2-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142573
4-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142833
2-chloro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142758
4-(1,3-dioxoisoindol-2-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]butanamide
CID 121142788
benzyl N-[2-oxo-2-[[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]amino]ethyl]carbamate
CID 99874839
3-(4-bromophenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 121142698
1-benzhydryl-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]urea
CID 99874849
3-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 121142708

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide (CID 121142854) is 2-(benzotriazol-1-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide is O=C(Cn1nnc2ccccc21)NC1CCN(c2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide?
The InChIKey is FUVMEELWOHKCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N6O/c19-18(20,21)12-5-6-16(22-9-12)26-8-7-13(10-26)23-17(28)11-27-15-4-2-1-3-14(15)24-25-27/h1-6,9,13H,7-8,10-11H2,(H,23,28).
What are the key properties of 2-(benzotriazol-1-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide?
2-(benzotriazol-1-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide has a molecular weight of 390.37 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 121142854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).