3-(4,4a-dihydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl)-5-fluoro-4-pyridin-3-ylpyridine-2-carboxamide

C19H20FN3O4 — CID 66655312

IUPAC3-(4,4a-dihydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl)-5-fluoro-4-pyridin-3-ylpyridine-2-carboxamide
SMILESNC(=O)c1ncc(F)c(-c2cccnc2)c1C1CC(O)C2(O)CCCC2O1
InChIInChI=1S/C19H20FN3O4/c20-11-9-23-17(18(21)25)16(15(11)10-3-2-6-22-8-10)12-7-13(24)19(26)5-1-4-14(19)27-12/h2-3,6,8-9,12-14,24,26H,1,4-5,7H2,(H2,21,25)
InChIKeyWKLGWPDIGIKIJZ-UHFFFAOYSA-N
MW373.38 g/mol
LogP1.49
Rot. Bonds3

About 3-(4,4a-dihydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl)-5-fluoro-4-pyridin-3-ylpyridine-2-carboxamide

3-(4,4a-dihydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl)-5-fluoro-4-pyridin-3-ylpyridine-2-carboxamide (PubChem CID 66655312) has the molecular formula C19H20FN3O4 and a molecular weight of 373.38 g/mol. Its IUPAC name is 3-(4,4a-dihydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl)-5-fluoro-4-pyridin-3-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-(4,4a-dihydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl)-5-fluoro-4-pyridin-3-ylpyridine-2-carboxamide
PubChem CID66655312
Molecular FormulaC19H20FN3O4
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name3-(4,4a-dihydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl)-5-fluoro-4-pyridin-3-ylpyridine-2-carboxamide
SMILESNC(=O)c1ncc(F)c(-c2cccnc2)c1C1CC(O)C2(O)CCCC2O1
InChIInChI=1S/C19H20FN3O4/c20-11-9-23-17(18(21)25)16(15(11)10-3-2-6-22-8-10)12-7-13(24)19(26)5-1-4-14(19)27-12/h2-3,6,8-9,12-14,24,26H,1,4-5,7H2,(H2,21,25)
InChIKeyWKLGWPDIGIKIJZ-UHFFFAOYSA-N
XLogP1.49
TPSA118.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(4,4a-dihydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl)-5-fluoro-4-pyridin-3-ylpyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4a-dihydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl)-5-fluoro-4-pyridin-3-ylpyridine-2-carboxamide?
The IUPAC name of 3-(4,4a-dihydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl)-5-fluoro-4-pyridin-3-ylpyridine-2-carboxamide (CID 66655312) is 3-(4,4a-dihydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl)-5-fluoro-4-pyridin-3-ylpyridine-2-carboxamide.
What is the SMILES notation for 3-(4,4a-dihydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl)-5-fluoro-4-pyridin-3-ylpyridine-2-carboxamide?
The canonical SMILES for 3-(4,4a-dihydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl)-5-fluoro-4-pyridin-3-ylpyridine-2-carboxamide is NC(=O)c1ncc(F)c(-c2cccnc2)c1C1CC(O)C2(O)CCCC2O1.
What is the InChIKey of 3-(4,4a-dihydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl)-5-fluoro-4-pyridin-3-ylpyridine-2-carboxamide?
The InChIKey is WKLGWPDIGIKIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4/c20-11-9-23-17(18(21)25)16(15(11)10-3-2-6-22-8-10)12-7-13(24)19(26)5-1-4-14(19)27-12/h2-3,6,8-9,12-14,24,26H,1,4-5,7H2,(H2,21,25).
What are the key properties of 3-(4,4a-dihydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl)-5-fluoro-4-pyridin-3-ylpyridine-2-carboxamide?
3-(4,4a-dihydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl)-5-fluoro-4-pyridin-3-ylpyridine-2-carboxamide has a molecular weight of 373.38 g/mol, XLogP of 1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4a-dihydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl)-5-fluoro-4-pyridin-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 66655312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).