6-(2,6-difluoro-4-methoxyphenyl)-N-[4-[(4S)-1,1,1-trifluorooctan-4-yl]-3-pyridinyl]pyridine-2-carboxamide

C26H26F5N3O2 — CID 70909328

IUPAC6-(2,6-difluoro-4-methoxyphenyl)-N-[4-[(4S)-1,1,1-trifluorooctan-4-yl]-3-pyridinyl]pyridine-2-carboxamide
SMILESCCCCC(CCC(F)(F)F)c1ccncc1NC(=O)c1cccc(-c2c(F)cc(OC)cc2F)n1
InChIInChI=1S/C26H26F5N3O2/c1-3-4-6-16(9-11-26(29,30)31)18-10-12-32-15-23(18)34-25(35)22-8-5-7-21(33-22)24-19(27)13-17(36-2)14-20(24)28/h5,7-8,10,12-16H,3-4,6,9,11H2,1-2H3,(H,34,35)
InChIKeySVOUNXIHRZNBAN-UHFFFAOYSA-N
MW507.50 g/mol
LogP7.30
Rot. Bonds10

About 6-(2,6-difluoro-4-methoxyphenyl)-N-[4-[(4S)-1,1,1-trifluorooctan-4-yl]-3-pyridinyl]pyridine-2-carboxamide

6-(2,6-difluoro-4-methoxyphenyl)-N-[4-[(4S)-1,1,1-trifluorooctan-4-yl]-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 70909328) has the molecular formula C26H26F5N3O2 and a molecular weight of 507.50 g/mol. Its IUPAC name is 6-(2,6-difluoro-4-methoxyphenyl)-N-[4-[(4S)-1,1,1-trifluorooctan-4-yl]-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(2,6-difluoro-4-methoxyphenyl)-N-[4-[(4S)-1,1,1-trifluorooctan-4-yl]-3-pyridinyl]pyridine-2-carboxamide
PubChem CID70909328
Molecular FormulaC26H26F5N3O2
Molecular Weight507.50 g/mol
Exact Mass507.19
IUPAC Name6-(2,6-difluoro-4-methoxyphenyl)-N-[4-[(4S)-1,1,1-trifluorooctan-4-yl]-3-pyridinyl]pyridine-2-carboxamide
SMILESCCCCC(CCC(F)(F)F)c1ccncc1NC(=O)c1cccc(-c2c(F)cc(OC)cc2F)n1
InChIInChI=1S/C26H26F5N3O2/c1-3-4-6-16(9-11-26(29,30)31)18-10-12-32-15-23(18)34-25(35)22-8-5-7-21(33-22)24-19(27)13-17(36-2)14-20(24)28/h5,7-8,10,12-16H,3-4,6,9,11H2,1-2H3,(H,34,35)
InChIKeySVOUNXIHRZNBAN-UHFFFAOYSA-N
XLogP7.30
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.50
LogP ≤ 57.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluoro-4-methoxyphenyl)-N-[4-[(4S)-1,1,1-trifluorooctan-4-yl]-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 6-(2,6-difluoro-4-methoxyphenyl)-N-[4-[(4S)-1,1,1-trifluorooctan-4-yl]-3-pyridinyl]pyridine-2-carboxamide (CID 70909328) is 6-(2,6-difluoro-4-methoxyphenyl)-N-[4-[(4S)-1,1,1-trifluorooctan-4-yl]-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(2,6-difluoro-4-methoxyphenyl)-N-[4-[(4S)-1,1,1-trifluorooctan-4-yl]-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(2,6-difluoro-4-methoxyphenyl)-N-[4-[(4S)-1,1,1-trifluorooctan-4-yl]-3-pyridinyl]pyridine-2-carboxamide is CCCCC(CCC(F)(F)F)c1ccncc1NC(=O)c1cccc(-c2c(F)cc(OC)cc2F)n1.
What is the InChIKey of 6-(2,6-difluoro-4-methoxyphenyl)-N-[4-[(4S)-1,1,1-trifluorooctan-4-yl]-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is SVOUNXIHRZNBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F5N3O2/c1-3-4-6-16(9-11-26(29,30)31)18-10-12-32-15-23(18)34-25(35)22-8-5-7-21(33-22)24-19(27)13-17(36-2)14-20(24)28/h5,7-8,10,12-16H,3-4,6,9,11H2,1-2H3,(H,34,35).
What are the key properties of 6-(2,6-difluoro-4-methoxyphenyl)-N-[4-[(4S)-1,1,1-trifluorooctan-4-yl]-3-pyridinyl]pyridine-2-carboxamide?
6-(2,6-difluoro-4-methoxyphenyl)-N-[4-[(4S)-1,1,1-trifluorooctan-4-yl]-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 507.50 g/mol, XLogP of 7.30, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluoro-4-methoxyphenyl)-N-[4-[(4S)-1,1,1-trifluorooctan-4-yl]-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 70909328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).