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

C15H16FN3O3 — CID 22012148

IUPAC3-(2-fluoro-3-pyridinyl)-8-hydroxy-2-methoxy-5,6,7,8-tetrahydroindolizine-1-carboxamide
SMILESCOc1c(C(N)=O)c2n(c1-c1cccnc1F)CCCC2O
InChIInChI=1S/C15H16FN3O3/c1-22-13-10(15(17)21)12-9(20)5-3-7-19(12)11(13)8-4-2-6-18-14(8)16/h2,4,6,9,20H,3,5,7H2,1H3,(H2,17,21)
InChIKeySIFPCXIESJEEFG-UHFFFAOYSA-N
MW305.31 g/mol
LogP1.62
Rot. Bonds3

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

3-(2-fluoro-3-pyridinyl)-8-hydroxy-2-methoxy-5,6,7,8-tetrahydroindolizine-1-carboxamide (PubChem CID 22012148) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is 3-(2-fluoro-3-pyridinyl)-8-hydroxy-2-methoxy-5,6,7,8-tetrahydroindolizine-1-carboxamide.

Molecular Properties

Compound Name3-(2-fluoro-3-pyridinyl)-8-hydroxy-2-methoxy-5,6,7,8-tetrahydroindolizine-1-carboxamide
PubChem CID22012148
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name3-(2-fluoro-3-pyridinyl)-8-hydroxy-2-methoxy-5,6,7,8-tetrahydroindolizine-1-carboxamide
SMILESCOc1c(C(N)=O)c2n(c1-c1cccnc1F)CCCC2O
InChIInChI=1S/C15H16FN3O3/c1-22-13-10(15(17)21)12-9(20)5-3-7-19(12)11(13)8-4-2-6-18-14(8)16/h2,4,6,9,20H,3,5,7H2,1H3,(H2,17,21)
InChIKeySIFPCXIESJEEFG-UHFFFAOYSA-N
XLogP1.62
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.62
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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Related Compounds

1-[3-(2-fluoro-3-pyridinyl)-2-methoxy-5,6-dihydroindolizin-1-yl]ethanone
CID 22012113
(2-fluoro-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 107358404
2-(2-chloro-8-hydroxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizin-1-yl)acetamide
CID 139887090
1-(2-fluoropyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 107358837
(2-fluoro-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 107362731
1-[4-(2-fluoro-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 59326965
(2-fluoro-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 107358377
(2-amino-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone
CID 102969309
3-(2-fluoro-3-pyridinyl)-1,2,4-triazole-1-carboxamide
CID 67954648
(2-fluoro-3-pyridinyl) (2S)-2-[(2-fluoro-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 174187814
methyl 1-[3-(5-methoxy-4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]pyrrolidine-2-carboxylate
CID 70305093
(2S)-1-(7H-pyrrolo[3,4-b]pyridin-5-ylsulfonyl)pyrrolidine-2-carboxamide
CID 157493126

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-3-pyridinyl)-8-hydroxy-2-methoxy-5,6,7,8-tetrahydroindolizine-1-carboxamide?
The IUPAC name of 3-(2-fluoro-3-pyridinyl)-8-hydroxy-2-methoxy-5,6,7,8-tetrahydroindolizine-1-carboxamide (CID 22012148) is 3-(2-fluoro-3-pyridinyl)-8-hydroxy-2-methoxy-5,6,7,8-tetrahydroindolizine-1-carboxamide.
What is the SMILES notation for 3-(2-fluoro-3-pyridinyl)-8-hydroxy-2-methoxy-5,6,7,8-tetrahydroindolizine-1-carboxamide?
The canonical SMILES for 3-(2-fluoro-3-pyridinyl)-8-hydroxy-2-methoxy-5,6,7,8-tetrahydroindolizine-1-carboxamide is COc1c(C(N)=O)c2n(c1-c1cccnc1F)CCCC2O.
What is the InChIKey of 3-(2-fluoro-3-pyridinyl)-8-hydroxy-2-methoxy-5,6,7,8-tetrahydroindolizine-1-carboxamide?
The InChIKey is SIFPCXIESJEEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c1-22-13-10(15(17)21)12-9(20)5-3-7-19(12)11(13)8-4-2-6-18-14(8)16/h2,4,6,9,20H,3,5,7H2,1H3,(H2,17,21).
What are the key properties of 3-(2-fluoro-3-pyridinyl)-8-hydroxy-2-methoxy-5,6,7,8-tetrahydroindolizine-1-carboxamide?
3-(2-fluoro-3-pyridinyl)-8-hydroxy-2-methoxy-5,6,7,8-tetrahydroindolizine-1-carboxamide has a molecular weight of 305.31 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-3-pyridinyl)-8-hydroxy-2-methoxy-5,6,7,8-tetrahydroindolizine-1-carboxamide is sourced from PubChem (CID 22012148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).