8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide

C15H14F3N3O2 — CID 22011991

IUPAC8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide
SMILESNC(=O)c1c(C(F)(F)F)c(-c2cccnc2)n2c1C(O)CCC2
InChIInChI=1S/C15H14F3N3O2/c16-15(17,18)11-10(14(19)23)13-9(22)4-2-6-21(13)12(11)8-3-1-5-20-7-8/h1,3,5,7,9,22H,2,4,6H2,(H2,19,23)
InChIKeyLLERPHOVDXGCLI-UHFFFAOYSA-N
MW325.29 g/mol
LogP2.49
Rot. Bonds2

About 8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide

8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide (PubChem CID 22011991) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide.

Molecular Properties

Compound Name8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide
PubChem CID22011991
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC Name8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide
SMILESNC(=O)c1c(C(F)(F)F)c(-c2cccnc2)n2c1C(O)CCC2
InChIInChI=1S/C15H14F3N3O2/c16-15(17,18)11-10(14(19)23)13-9(22)4-2-6-21(13)12(11)8-3-1-5-20-7-8/h1,3,5,7,9,22H,2,4,6H2,(H2,19,23)
InChIKeyLLERPHOVDXGCLI-UHFFFAOYSA-N
XLogP2.49
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide?
The IUPAC name of 8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide (CID 22011991) is 8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide.
What is the SMILES notation for 8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide?
The canonical SMILES for 8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide is NC(=O)c1c(C(F)(F)F)c(-c2cccnc2)n2c1C(O)CCC2.
What is the InChIKey of 8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide?
The InChIKey is LLERPHOVDXGCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c16-15(17,18)11-10(14(19)23)13-9(22)4-2-6-21(13)12(11)8-3-1-5-20-7-8/h1,3,5,7,9,22H,2,4,6H2,(H2,19,23).
What are the key properties of 8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide?
8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide has a molecular weight of 325.29 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide is sourced from PubChem (CID 22011991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).