6-(2,6-difluorophenyl)-4-(4,5-dihydroxyoxan-2-yl)-5-fluoro-3-pyridin-3-ylpyridine-2-carboxamide

C22H18F3N3O4 — CID 66654705

IUPAC6-(2,6-difluorophenyl)-4-(4,5-dihydroxyoxan-2-yl)-5-fluoro-3-pyridin-3-ylpyridine-2-carboxamide
SMILESNC(=O)c1nc(-c2c(F)cccc2F)c(F)c(C2CC(O)C(O)CO2)c1-c1cccnc1
InChIInChI=1S/C22H18F3N3O4/c23-11-4-1-5-12(24)17(11)20-19(25)18(15-7-13(29)14(30)9-32-15)16(21(28-20)22(26)31)10-3-2-6-27-8-10/h1-6,8,13-15,29-30H,7,9H2,(H2,26,31)
InChIKeyDKGBGCFUTPENKL-UHFFFAOYSA-N
MW445.40 g/mol
LogP2.51
Rot. Bonds4

About 6-(2,6-difluorophenyl)-4-(4,5-dihydroxyoxan-2-yl)-5-fluoro-3-pyridin-3-ylpyridine-2-carboxamide

6-(2,6-difluorophenyl)-4-(4,5-dihydroxyoxan-2-yl)-5-fluoro-3-pyridin-3-ylpyridine-2-carboxamide (PubChem CID 66654705) has the molecular formula C22H18F3N3O4 and a molecular weight of 445.40 g/mol. Its IUPAC name is 6-(2,6-difluorophenyl)-4-(4,5-dihydroxyoxan-2-yl)-5-fluoro-3-pyridin-3-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-(2,6-difluorophenyl)-4-(4,5-dihydroxyoxan-2-yl)-5-fluoro-3-pyridin-3-ylpyridine-2-carboxamide
PubChem CID66654705
Molecular FormulaC22H18F3N3O4
Molecular Weight445.40 g/mol
Exact Mass445.12
IUPAC Name6-(2,6-difluorophenyl)-4-(4,5-dihydroxyoxan-2-yl)-5-fluoro-3-pyridin-3-ylpyridine-2-carboxamide
SMILESNC(=O)c1nc(-c2c(F)cccc2F)c(F)c(C2CC(O)C(O)CO2)c1-c1cccnc1
InChIInChI=1S/C22H18F3N3O4/c23-11-4-1-5-12(24)17(11)20-19(25)18(15-7-13(29)14(30)9-32-15)16(21(28-20)22(26)31)10-3-2-6-27-8-10/h1-6,8,13-15,29-30H,7,9H2,(H2,26,31)
InChIKeyDKGBGCFUTPENKL-UHFFFAOYSA-N
XLogP2.51
TPSA118.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.40
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluorophenyl)-4-(4,5-dihydroxyoxan-2-yl)-5-fluoro-3-pyridin-3-ylpyridine-2-carboxamide?
The IUPAC name of 6-(2,6-difluorophenyl)-4-(4,5-dihydroxyoxan-2-yl)-5-fluoro-3-pyridin-3-ylpyridine-2-carboxamide (CID 66654705) is 6-(2,6-difluorophenyl)-4-(4,5-dihydroxyoxan-2-yl)-5-fluoro-3-pyridin-3-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-(2,6-difluorophenyl)-4-(4,5-dihydroxyoxan-2-yl)-5-fluoro-3-pyridin-3-ylpyridine-2-carboxamide?
The canonical SMILES for 6-(2,6-difluorophenyl)-4-(4,5-dihydroxyoxan-2-yl)-5-fluoro-3-pyridin-3-ylpyridine-2-carboxamide is NC(=O)c1nc(-c2c(F)cccc2F)c(F)c(C2CC(O)C(O)CO2)c1-c1cccnc1.
What is the InChIKey of 6-(2,6-difluorophenyl)-4-(4,5-dihydroxyoxan-2-yl)-5-fluoro-3-pyridin-3-ylpyridine-2-carboxamide?
The InChIKey is DKGBGCFUTPENKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O4/c23-11-4-1-5-12(24)17(11)20-19(25)18(15-7-13(29)14(30)9-32-15)16(21(28-20)22(26)31)10-3-2-6-27-8-10/h1-6,8,13-15,29-30H,7,9H2,(H2,26,31).
What are the key properties of 6-(2,6-difluorophenyl)-4-(4,5-dihydroxyoxan-2-yl)-5-fluoro-3-pyridin-3-ylpyridine-2-carboxamide?
6-(2,6-difluorophenyl)-4-(4,5-dihydroxyoxan-2-yl)-5-fluoro-3-pyridin-3-ylpyridine-2-carboxamide has a molecular weight of 445.40 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluorophenyl)-4-(4,5-dihydroxyoxan-2-yl)-5-fluoro-3-pyridin-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 66654705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).