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

C15H13FN4O2 — CID 22012068

IUPAC2-cyano-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carboxamide
SMILESN#Cc1c(C(N)=O)c2n(c1-c1cccnc1F)CCCC2O
InChIInChI=1S/C15H13FN4O2/c16-14-8(3-1-5-19-14)12-9(7-17)11(15(18)22)13-10(21)4-2-6-20(12)13/h1,3,5,10,21H,2,4,6H2,(H2,18,22)
InChIKeySMVDNJVSJUSRRE-UHFFFAOYSA-N
MW300.29 g/mol
LogP1.49
Rot. Bonds2

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

2-cyano-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carboxamide (PubChem CID 22012068) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is 2-cyano-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carboxamide.

Molecular Properties

Compound Name2-cyano-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carboxamide
PubChem CID22012068
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC Name2-cyano-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carboxamide
SMILESN#Cc1c(C(N)=O)c2n(c1-c1cccnc1F)CCCC2O
InChIInChI=1S/C15H13FN4O2/c16-14-8(3-1-5-19-14)12-9(7-17)11(15(18)22)13-10(21)4-2-6-20(12)13/h1,3,5,10,21H,2,4,6H2,(H2,18,22)
InChIKeySMVDNJVSJUSRRE-UHFFFAOYSA-N
XLogP1.49
TPSA104.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-cyano-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carboxamide?
The IUPAC name of 2-cyano-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carboxamide (CID 22012068) is 2-cyano-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carboxamide.
What is the SMILES notation for 2-cyano-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carboxamide?
The canonical SMILES for 2-cyano-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carboxamide is N#Cc1c(C(N)=O)c2n(c1-c1cccnc1F)CCCC2O.
What is the InChIKey of 2-cyano-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carboxamide?
The InChIKey is SMVDNJVSJUSRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2/c16-14-8(3-1-5-19-14)12-9(7-17)11(15(18)22)13-10(21)4-2-6-20(12)13/h1,3,5,10,21H,2,4,6H2,(H2,18,22).
What are the key properties of 2-cyano-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carboxamide?
2-cyano-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carboxamide has a molecular weight of 300.29 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carboxamide is sourced from PubChem (CID 22012068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).