3-(2-fluoro-3-pyridinyl)-8-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide

C15H16FN3O2 — CID 22012012

IUPAC3-(2-fluoro-3-pyridinyl)-8-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide
SMILESCc1c(C(N)=O)c2n(c1-c1cccnc1F)CCCC2O
InChIInChI=1S/C15H16FN3O2/c1-8-11(15(17)21)13-10(20)5-3-7-19(13)12(8)9-4-2-6-18-14(9)16/h2,4,6,10,20H,3,5,7H2,1H3,(H2,17,21)
InChIKeyBTVROCJTTLWULE-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.92
Rot. Bonds2

About 3-(2-fluoro-3-pyridinyl)-8-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide

3-(2-fluoro-3-pyridinyl)-8-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide (PubChem CID 22012012) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 3-(2-fluoro-3-pyridinyl)-8-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide.

Molecular Properties

Compound Name3-(2-fluoro-3-pyridinyl)-8-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide
PubChem CID22012012
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name3-(2-fluoro-3-pyridinyl)-8-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide
SMILESCc1c(C(N)=O)c2n(c1-c1cccnc1F)CCCC2O
InChIInChI=1S/C15H16FN3O2/c1-8-11(15(17)21)13-10(20)5-3-7-19(13)12(8)9-4-2-6-18-14(9)16/h2,4,6,10,20H,3,5,7H2,1H3,(H2,17,21)
InChIKeyBTVROCJTTLWULE-UHFFFAOYSA-N
XLogP1.92
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-3-pyridinyl)-8-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide?
The IUPAC name of 3-(2-fluoro-3-pyridinyl)-8-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide (CID 22012012) is 3-(2-fluoro-3-pyridinyl)-8-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide.
What is the SMILES notation for 3-(2-fluoro-3-pyridinyl)-8-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide?
The canonical SMILES for 3-(2-fluoro-3-pyridinyl)-8-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide is Cc1c(C(N)=O)c2n(c1-c1cccnc1F)CCCC2O.
What is the InChIKey of 3-(2-fluoro-3-pyridinyl)-8-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide?
The InChIKey is BTVROCJTTLWULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-8-11(15(17)21)13-10(20)5-3-7-19(13)12(8)9-4-2-6-18-14(9)16/h2,4,6,10,20H,3,5,7H2,1H3,(H2,17,21).
What are the key properties of 3-(2-fluoro-3-pyridinyl)-8-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide?
3-(2-fluoro-3-pyridinyl)-8-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide has a molecular weight of 289.31 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-3-pyridinyl)-8-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide is sourced from PubChem (CID 22012012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).