6-(2,6-difluorophenyl)-N-[4-[(2R,3S,4R)-3,4-dihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide

C23H18F3N3O5 — CID 56600741

IUPAC6-(2,6-difluorophenyl)-N-[4-[(2R,3S,4R)-3,4-dihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
SMILESO=C(Nc1cnccc1C1=C[C@@H](O)[C@H](O)[C@@H](CO)O1)c1ccc(F)c(-c2c(F)cccc2F)n1
InChIInChI=1S/C23H18F3N3O5/c24-12-2-1-3-13(25)20(12)21-14(26)4-5-15(28-21)23(33)29-16-9-27-7-6-11(16)18-8-17(31)22(32)19(10-30)34-18/h1-9,17,19,22,30-32H,10H2,(H,29,33)/t17-,19-,22+/m1/s1
InChIKeyKSTLZVFKNHNZJM-JUXOCIIHSA-N
MW473.41 g/mol
LogP2.27
Rot. Bonds5

About 6-(2,6-difluorophenyl)-N-[4-[(2R,3S,4R)-3,4-dihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide

6-(2,6-difluorophenyl)-N-[4-[(2R,3S,4R)-3,4-dihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide (PubChem CID 56600741) has the molecular formula C23H18F3N3O5 and a molecular weight of 473.41 g/mol. Its IUPAC name is 6-(2,6-difluorophenyl)-N-[4-[(2R,3S,4R)-3,4-dihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound Name6-(2,6-difluorophenyl)-N-[4-[(2R,3S,4R)-3,4-dihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
PubChem CID56600741
Molecular FormulaC23H18F3N3O5
Molecular Weight473.41 g/mol
Exact Mass473.12
IUPAC Name6-(2,6-difluorophenyl)-N-[4-[(2R,3S,4R)-3,4-dihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
SMILESO=C(Nc1cnccc1C1=C[C@@H](O)[C@H](O)[C@@H](CO)O1)c1ccc(F)c(-c2c(F)cccc2F)n1
InChIInChI=1S/C23H18F3N3O5/c24-12-2-1-3-13(25)20(12)21-14(26)4-5-15(28-21)23(33)29-16-9-27-7-6-11(16)18-8-17(31)22(32)19(10-30)34-18/h1-9,17,19,22,30-32H,10H2,(H,29,33)/t17-,19-,22+/m1/s1
InChIKeyKSTLZVFKNHNZJM-JUXOCIIHSA-N
XLogP2.27
TPSA124.80 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.41
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-(2,6-difluorophenyl)-N-[4-[(2R,3S,4R)-3,4-dihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluorophenyl)-N-[4-[(2R,3S,4R)-3,4-dihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide?
The IUPAC name of 6-(2,6-difluorophenyl)-N-[4-[(2R,3S,4R)-3,4-dihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide (CID 56600741) is 6-(2,6-difluorophenyl)-N-[4-[(2R,3S,4R)-3,4-dihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for 6-(2,6-difluorophenyl)-N-[4-[(2R,3S,4R)-3,4-dihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide?
The canonical SMILES for 6-(2,6-difluorophenyl)-N-[4-[(2R,3S,4R)-3,4-dihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide is O=C(Nc1cnccc1C1=C[C@@H](O)[C@H](O)[C@@H](CO)O1)c1ccc(F)c(-c2c(F)cccc2F)n1.
What is the InChIKey of 6-(2,6-difluorophenyl)-N-[4-[(2R,3S,4R)-3,4-dihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide?
The InChIKey is KSTLZVFKNHNZJM-JUXOCIIHSA-N. The full InChI is InChI=1S/C23H18F3N3O5/c24-12-2-1-3-13(25)20(12)21-14(26)4-5-15(28-21)23(33)29-16-9-27-7-6-11(16)18-8-17(31)22(32)19(10-30)34-18/h1-9,17,19,22,30-32H,10H2,(H,29,33)/t17-,19-,22+/m1/s1.
What are the key properties of 6-(2,6-difluorophenyl)-N-[4-[(2R,3S,4R)-3,4-dihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide?
6-(2,6-difluorophenyl)-N-[4-[(2R,3S,4R)-3,4-dihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide has a molecular weight of 473.41 g/mol, XLogP of 2.27, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluorophenyl)-N-[4-[(2R,3S,4R)-3,4-dihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 56600741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).