6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2S,3S,5R,6R)-3-fluoro-5-hydroxy-5,6-dimethyl-4-oxooxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide

C24H19F4N3O4 — CID 56600538

IUPAC6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2S,3S,5R,6R)-3-fluoro-5-hydroxy-5,6-dimethyl-4-oxooxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide
SMILESC[C@H]1O[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)[C@H](F)C(=O)[C@]1(C)O
InChIInChI=1S/C24H19F4N3O4/c1-11-24(2,34)22(32)19(28)21(35-11)12-8-9-29-10-17(12)31-23(33)16-7-6-15(27)20(30-16)18-13(25)4-3-5-14(18)26/h3-11,19,21,34H,1-2H3,(H,31,33)/t11-,19+,21+,24-/m1/s1
InChIKeyYLAVVUCJTVGBLO-IECBWXTMSA-N
MW489.43 g/mol
LogP3.93
Rot. Bonds4

About 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2S,3S,5R,6R)-3-fluoro-5-hydroxy-5,6-dimethyl-4-oxooxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide

6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2S,3S,5R,6R)-3-fluoro-5-hydroxy-5,6-dimethyl-4-oxooxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 56600538) has the molecular formula C24H19F4N3O4 and a molecular weight of 489.43 g/mol. Its IUPAC name is 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2S,3S,5R,6R)-3-fluoro-5-hydroxy-5,6-dimethyl-4-oxooxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2S,3S,5R,6R)-3-fluoro-5-hydroxy-5,6-dimethyl-4-oxooxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide
PubChem CID56600538
Molecular FormulaC24H19F4N3O4
Molecular Weight489.43 g/mol
Exact Mass489.13
IUPAC Name6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2S,3S,5R,6R)-3-fluoro-5-hydroxy-5,6-dimethyl-4-oxooxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide
SMILESC[C@H]1O[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)[C@H](F)C(=O)[C@]1(C)O
InChIInChI=1S/C24H19F4N3O4/c1-11-24(2,34)22(32)19(28)21(35-11)12-8-9-29-10-17(12)31-23(33)16-7-6-15(27)20(30-16)18-13(25)4-3-5-14(18)26/h3-11,19,21,34H,1-2H3,(H,31,33)/t11-,19+,21+,24-/m1/s1
InChIKeyYLAVVUCJTVGBLO-IECBWXTMSA-N
XLogP3.93
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.43
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2S,3S,5R,6R)-3-fluoro-5-hydroxy-5,6-dimethyl-4-oxooxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2S,3S,5R,6R)-3-fluoro-5-hydroxy-5,6-dimethyl-4-oxooxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2S,3S,5R,6R)-3-fluoro-5-hydroxy-5,6-dimethyl-4-oxooxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide (CID 56600538) is 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2S,3S,5R,6R)-3-fluoro-5-hydroxy-5,6-dimethyl-4-oxooxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2S,3S,5R,6R)-3-fluoro-5-hydroxy-5,6-dimethyl-4-oxooxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2S,3S,5R,6R)-3-fluoro-5-hydroxy-5,6-dimethyl-4-oxooxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide is C[C@H]1O[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)[C@H](F)C(=O)[C@]1(C)O.
What is the InChIKey of 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2S,3S,5R,6R)-3-fluoro-5-hydroxy-5,6-dimethyl-4-oxooxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is YLAVVUCJTVGBLO-IECBWXTMSA-N. The full InChI is InChI=1S/C24H19F4N3O4/c1-11-24(2,34)22(32)19(28)21(35-11)12-8-9-29-10-17(12)31-23(33)16-7-6-15(27)20(30-16)18-13(25)4-3-5-14(18)26/h3-11,19,21,34H,1-2H3,(H,31,33)/t11-,19+,21+,24-/m1/s1.
What are the key properties of 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2S,3S,5R,6R)-3-fluoro-5-hydroxy-5,6-dimethyl-4-oxooxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide?
6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2S,3S,5R,6R)-3-fluoro-5-hydroxy-5,6-dimethyl-4-oxooxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 489.43 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2S,3S,5R,6R)-3-fluoro-5-hydroxy-5,6-dimethyl-4-oxooxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 56600538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).