6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R)-4-(hydroxymethyl)-1,3-dioxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide

C22H18F3N3O4 — CID 56600745

IUPAC6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R)-4-(hydroxymethyl)-1,3-dioxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide
SMILESO=C(Nc1cnccc1[C@@H]1OCC[C@H](CO)O1)c1ccc(F)c(-c2c(F)cccc2F)n1
InChIInChI=1S/C22H18F3N3O4/c23-14-2-1-3-15(24)19(14)20-16(25)4-5-17(27-20)21(30)28-18-10-26-8-6-13(18)22-31-9-7-12(11-29)32-22/h1-6,8,10,12,22,29H,7,9,11H2,(H,28,30)/t12-,22-/m1/s1
InChIKeyGNZCBEJVZKNQNK-VERVWZFWSA-N
MW445.40 g/mol
LogP3.61
Rot. Bonds5

About 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R)-4-(hydroxymethyl)-1,3-dioxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide

6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R)-4-(hydroxymethyl)-1,3-dioxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 56600745) has the molecular formula C22H18F3N3O4 and a molecular weight of 445.40 g/mol. Its IUPAC name is 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R)-4-(hydroxymethyl)-1,3-dioxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R)-4-(hydroxymethyl)-1,3-dioxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide
PubChem CID56600745
Molecular FormulaC22H18F3N3O4
Molecular Weight445.40 g/mol
Exact Mass445.12
IUPAC Name6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R)-4-(hydroxymethyl)-1,3-dioxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide
SMILESO=C(Nc1cnccc1[C@@H]1OCC[C@H](CO)O1)c1ccc(F)c(-c2c(F)cccc2F)n1
InChIInChI=1S/C22H18F3N3O4/c23-14-2-1-3-15(24)19(14)20-16(25)4-5-17(27-20)21(30)28-18-10-26-8-6-13(18)22-31-9-7-12(11-29)32-22/h1-6,8,10,12,22,29H,7,9,11H2,(H,28,30)/t12-,22-/m1/s1
InChIKeyGNZCBEJVZKNQNK-VERVWZFWSA-N
XLogP3.61
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.40
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R)-4-(hydroxymethyl)-1,3-dioxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R)-4-(hydroxymethyl)-1,3-dioxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide (CID 56600745) is 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R)-4-(hydroxymethyl)-1,3-dioxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R)-4-(hydroxymethyl)-1,3-dioxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R)-4-(hydroxymethyl)-1,3-dioxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide is O=C(Nc1cnccc1[C@@H]1OCC[C@H](CO)O1)c1ccc(F)c(-c2c(F)cccc2F)n1.
What is the InChIKey of 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R)-4-(hydroxymethyl)-1,3-dioxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is GNZCBEJVZKNQNK-VERVWZFWSA-N. The full InChI is InChI=1S/C22H18F3N3O4/c23-14-2-1-3-15(24)19(14)20-16(25)4-5-17(27-20)21(30)28-18-10-26-8-6-13(18)22-31-9-7-12(11-29)32-22/h1-6,8,10,12,22,29H,7,9,11H2,(H,28,30)/t12-,22-/m1/s1.
What are the key properties of 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R)-4-(hydroxymethyl)-1,3-dioxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide?
6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R)-4-(hydroxymethyl)-1,3-dioxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 445.40 g/mol, XLogP of 3.61, 5 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-[(2R,4R)-4-(hydroxymethyl)-1,3-dioxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 56600745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).