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

C23H17F6N3O3 — CID 56600340

IUPAC6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2S,4R)-4-hydroxy-2-(trifluoromethyl)oxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide
SMILESO=C(Nc1cnccc1[C@]1(C(F)(F)F)C[C@H](O)CCO1)c1ccc(F)c(-c2c(F)cccc2F)n1
InChIInChI=1S/C23H17F6N3O3/c24-14-2-1-3-15(25)19(14)20-16(26)4-5-17(31-20)21(34)32-18-11-30-8-6-13(18)22(23(27,28)29)10-12(33)7-9-35-22/h1-6,8,11-12,33H,7,9-10H2,(H,32,34)/t12-,22+/m1/s1
InChIKeyNRZDVFAUHKUIIS-IPQOISQHSA-N
MW497.40 g/mol
LogP4.74
Rot. Bonds4

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

6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2S,4R)-4-hydroxy-2-(trifluoromethyl)oxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 56600340) has the molecular formula C23H17F6N3O3 and a molecular weight of 497.40 g/mol. Its IUPAC name is 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2S,4R)-4-hydroxy-2-(trifluoromethyl)oxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2S,4R)-4-hydroxy-2-(trifluoromethyl)oxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide
PubChem CID56600340
Molecular FormulaC23H17F6N3O3
Molecular Weight497.40 g/mol
Exact Mass497.12
IUPAC Name6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2S,4R)-4-hydroxy-2-(trifluoromethyl)oxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide
SMILESO=C(Nc1cnccc1[C@]1(C(F)(F)F)C[C@H](O)CCO1)c1ccc(F)c(-c2c(F)cccc2F)n1
InChIInChI=1S/C23H17F6N3O3/c24-14-2-1-3-15(25)19(14)20-16(26)4-5-17(31-20)21(34)32-18-11-30-8-6-13(18)22(23(27,28)29)10-12(33)7-9-35-22/h1-6,8,11-12,33H,7,9-10H2,(H,32,34)/t12-,22+/m1/s1
InChIKeyNRZDVFAUHKUIIS-IPQOISQHSA-N
XLogP4.74
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.40
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2S,4R)-4-hydroxy-2-(trifluoromethyl)oxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2S,4R)-4-hydroxy-2-(trifluoromethyl)oxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide (CID 56600340) is 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2S,4R)-4-hydroxy-2-(trifluoromethyl)oxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2S,4R)-4-hydroxy-2-(trifluoromethyl)oxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2S,4R)-4-hydroxy-2-(trifluoromethyl)oxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide is O=C(Nc1cnccc1[C@]1(C(F)(F)F)C[C@H](O)CCO1)c1ccc(F)c(-c2c(F)cccc2F)n1.
What is the InChIKey of 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2S,4R)-4-hydroxy-2-(trifluoromethyl)oxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is NRZDVFAUHKUIIS-IPQOISQHSA-N. The full InChI is InChI=1S/C23H17F6N3O3/c24-14-2-1-3-15(25)19(14)20-16(26)4-5-17(31-20)21(34)32-18-11-30-8-6-13(18)22(23(27,28)29)10-12(33)7-9-35-22/h1-6,8,11-12,33H,7,9-10H2,(H,32,34)/t12-,22+/m1/s1.
What are the key properties of 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2S,4R)-4-hydroxy-2-(trifluoromethyl)oxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide?
6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2S,4R)-4-hydroxy-2-(trifluoromethyl)oxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 497.40 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2S,4R)-4-hydroxy-2-(trifluoromethyl)oxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 56600340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).