N-(azetidin-3-yl)-2-[[7-(trifluoromethyl)isoquinolin-1-yl]amino]acetamide

C15H15F3N4O — CID 58562786

IUPACN-(azetidin-3-yl)-2-[[7-(trifluoromethyl)isoquinolin-1-yl]amino]acetamide
SMILESO=C(CNc1nccc2ccc(C(F)(F)F)cc12)NC1CNC1
InChIInChI=1S/C15H15F3N4O/c16-15(17,18)10-2-1-9-3-4-20-14(12(9)5-10)21-8-13(23)22-11-6-19-7-11/h1-5,11,19H,6-8H2,(H,20,21)(H,22,23)
InChIKeyNYTZOHLHDGKPID-UHFFFAOYSA-N
MW324.31 g/mol
LogP1.75
Rot. Bonds4

About N-(azetidin-3-yl)-2-[[7-(trifluoromethyl)isoquinolin-1-yl]amino]acetamide

N-(azetidin-3-yl)-2-[[7-(trifluoromethyl)isoquinolin-1-yl]amino]acetamide (PubChem CID 58562786) has the molecular formula C15H15F3N4O and a molecular weight of 324.31 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2-[[7-(trifluoromethyl)isoquinolin-1-yl]amino]acetamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2-[[7-(trifluoromethyl)isoquinolin-1-yl]amino]acetamide
PubChem CID58562786
Molecular FormulaC15H15F3N4O
Molecular Weight324.31 g/mol
Exact Mass324.12
IUPAC NameN-(azetidin-3-yl)-2-[[7-(trifluoromethyl)isoquinolin-1-yl]amino]acetamide
SMILESO=C(CNc1nccc2ccc(C(F)(F)F)cc12)NC1CNC1
InChIInChI=1S/C15H15F3N4O/c16-15(17,18)10-2-1-9-3-4-20-14(12(9)5-10)21-8-13(23)22-11-6-19-7-11/h1-5,11,19H,6-8H2,(H,20,21)(H,22,23)
InChIKeyNYTZOHLHDGKPID-UHFFFAOYSA-N
XLogP1.75
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2-[[7-(trifluoromethyl)isoquinolin-1-yl]amino]acetamide?
The IUPAC name of N-(azetidin-3-yl)-2-[[7-(trifluoromethyl)isoquinolin-1-yl]amino]acetamide (CID 58562786) is N-(azetidin-3-yl)-2-[[7-(trifluoromethyl)isoquinolin-1-yl]amino]acetamide.
What is the SMILES notation for N-(azetidin-3-yl)-2-[[7-(trifluoromethyl)isoquinolin-1-yl]amino]acetamide?
The canonical SMILES for N-(azetidin-3-yl)-2-[[7-(trifluoromethyl)isoquinolin-1-yl]amino]acetamide is O=C(CNc1nccc2ccc(C(F)(F)F)cc12)NC1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-2-[[7-(trifluoromethyl)isoquinolin-1-yl]amino]acetamide?
The InChIKey is NYTZOHLHDGKPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O/c16-15(17,18)10-2-1-9-3-4-20-14(12(9)5-10)21-8-13(23)22-11-6-19-7-11/h1-5,11,19H,6-8H2,(H,20,21)(H,22,23).
What are the key properties of N-(azetidin-3-yl)-2-[[7-(trifluoromethyl)isoquinolin-1-yl]amino]acetamide?
N-(azetidin-3-yl)-2-[[7-(trifluoromethyl)isoquinolin-1-yl]amino]acetamide has a molecular weight of 324.31 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2-[[7-(trifluoromethyl)isoquinolin-1-yl]amino]acetamide is sourced from PubChem (CID 58562786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).