2-pyridin-2-yl-N-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]acetamide

C18H18F3N3O — CID 70797932

IUPAC2-pyridin-2-yl-N-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]acetamide
SMILESO=C(Cc1ccccn1)NC1CCCN1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H18F3N3O/c19-18(20,21)13-6-8-15(9-7-13)24-11-3-5-16(24)23-17(25)12-14-4-1-2-10-22-14/h1-2,4,6-10,16H,3,5,11-12H2,(H,23,25)
InChIKeyAJXWFTBUKBHMRB-UHFFFAOYSA-N
MW349.36 g/mol
LogP3.39
Rot. Bonds4

About 2-pyridin-2-yl-N-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]acetamide

2-pyridin-2-yl-N-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]acetamide (PubChem CID 70797932) has the molecular formula C18H18F3N3O and a molecular weight of 349.36 g/mol. Its IUPAC name is 2-pyridin-2-yl-N-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]acetamide.

Molecular Properties

Compound Name2-pyridin-2-yl-N-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]acetamide
PubChem CID70797932
Molecular FormulaC18H18F3N3O
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC Name2-pyridin-2-yl-N-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]acetamide
SMILESO=C(Cc1ccccn1)NC1CCCN1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H18F3N3O/c19-18(20,21)13-6-8-15(9-7-13)24-11-3-5-16(24)23-17(25)12-14-4-1-2-10-22-14/h1-2,4,6-10,16H,3,5,11-12H2,(H,23,25)
InChIKeyAJXWFTBUKBHMRB-UHFFFAOYSA-N
XLogP3.39
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-N-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]acetamide?
The IUPAC name of 2-pyridin-2-yl-N-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]acetamide (CID 70797932) is 2-pyridin-2-yl-N-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]acetamide.
What is the SMILES notation for 2-pyridin-2-yl-N-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]acetamide?
The canonical SMILES for 2-pyridin-2-yl-N-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]acetamide is O=C(Cc1ccccn1)NC1CCCN1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-pyridin-2-yl-N-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]acetamide?
The InChIKey is AJXWFTBUKBHMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O/c19-18(20,21)13-6-8-15(9-7-13)24-11-3-5-16(24)23-17(25)12-14-4-1-2-10-22-14/h1-2,4,6-10,16H,3,5,11-12H2,(H,23,25).
What are the key properties of 2-pyridin-2-yl-N-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]acetamide?
2-pyridin-2-yl-N-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]acetamide has a molecular weight of 349.36 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-N-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]acetamide is sourced from PubChem (CID 70797932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).