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

C24H22F3N3O4 — CID 56600536

IUPAC6-(2,6-difluorophenyl)-N-[4-[(2R,3S,4R,5S,6R)-4,5-dihydroxy-3,6-dimethyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
SMILESC[C@H]1[C@@H](O)[C@H](O)[C@@H](C)O[C@H]1c1ccncc1NC(=O)c1ccc(F)c(-c2c(F)cccc2F)n1
InChIInChI=1S/C24H22F3N3O4/c1-11-21(31)22(32)12(2)34-23(11)13-8-9-28-10-18(13)30-24(33)17-7-6-16(27)20(29-17)19-14(25)4-3-5-15(19)26/h3-12,21-23,31-32H,1-2H3,(H,30,33)/t11-,12+,21+,22+,23+/m0/s1
InChIKeyKFJVVUDXCFZCHT-PTMUDDDTSA-N
MW473.45 g/mol
LogP3.63
Rot. Bonds4

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

6-(2,6-difluorophenyl)-N-[4-[(2R,3S,4R,5S,6R)-4,5-dihydroxy-3,6-dimethyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide (PubChem CID 56600536) has the molecular formula C24H22F3N3O4 and a molecular weight of 473.45 g/mol. Its IUPAC name is 6-(2,6-difluorophenyl)-N-[4-[(2R,3S,4R,5S,6R)-4,5-dihydroxy-3,6-dimethyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound Name6-(2,6-difluorophenyl)-N-[4-[(2R,3S,4R,5S,6R)-4,5-dihydroxy-3,6-dimethyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
PubChem CID56600536
Molecular FormulaC24H22F3N3O4
Molecular Weight473.45 g/mol
Exact Mass473.16
IUPAC Name6-(2,6-difluorophenyl)-N-[4-[(2R,3S,4R,5S,6R)-4,5-dihydroxy-3,6-dimethyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
SMILESC[C@H]1[C@@H](O)[C@H](O)[C@@H](C)O[C@H]1c1ccncc1NC(=O)c1ccc(F)c(-c2c(F)cccc2F)n1
InChIInChI=1S/C24H22F3N3O4/c1-11-21(31)22(32)12(2)34-23(11)13-8-9-28-10-18(13)30-24(33)17-7-6-16(27)20(29-17)19-14(25)4-3-5-15(19)26/h3-12,21-23,31-32H,1-2H3,(H,30,33)/t11-,12+,21+,22+,23+/m0/s1
InChIKeyKFJVVUDXCFZCHT-PTMUDDDTSA-N
XLogP3.63
TPSA104.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.45
LogP ≤ 53.63
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)-N-[4-[(2R,3S,4R,5S,6R)-4,5-dihydroxy-3,6-dimethyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide?
The IUPAC name of 6-(2,6-difluorophenyl)-N-[4-[(2R,3S,4R,5S,6R)-4,5-dihydroxy-3,6-dimethyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide (CID 56600536) is 6-(2,6-difluorophenyl)-N-[4-[(2R,3S,4R,5S,6R)-4,5-dihydroxy-3,6-dimethyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for 6-(2,6-difluorophenyl)-N-[4-[(2R,3S,4R,5S,6R)-4,5-dihydroxy-3,6-dimethyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide?
The canonical SMILES for 6-(2,6-difluorophenyl)-N-[4-[(2R,3S,4R,5S,6R)-4,5-dihydroxy-3,6-dimethyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide is C[C@H]1[C@@H](O)[C@H](O)[C@@H](C)O[C@H]1c1ccncc1NC(=O)c1ccc(F)c(-c2c(F)cccc2F)n1.
What is the InChIKey of 6-(2,6-difluorophenyl)-N-[4-[(2R,3S,4R,5S,6R)-4,5-dihydroxy-3,6-dimethyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide?
The InChIKey is KFJVVUDXCFZCHT-PTMUDDDTSA-N. The full InChI is InChI=1S/C24H22F3N3O4/c1-11-21(31)22(32)12(2)34-23(11)13-8-9-28-10-18(13)30-24(33)17-7-6-16(27)20(29-17)19-14(25)4-3-5-15(19)26/h3-12,21-23,31-32H,1-2H3,(H,30,33)/t11-,12+,21+,22+,23+/m0/s1.
What are the key properties of 6-(2,6-difluorophenyl)-N-[4-[(2R,3S,4R,5S,6R)-4,5-dihydroxy-3,6-dimethyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide?
6-(2,6-difluorophenyl)-N-[4-[(2R,3S,4R,5S,6R)-4,5-dihydroxy-3,6-dimethyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide has a molecular weight of 473.45 g/mol, XLogP of 3.63, 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)-N-[4-[(2R,3S,4R,5S,6R)-4,5-dihydroxy-3,6-dimethyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 56600536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).