N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]pyridine-3-carboxamide

C19H12F6N2O2 — CID 10431921

IUPACN-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]pyridine-3-carboxamide
SMILESO=C(Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12)c1cccnc1
InChIInChI=1S/C19H12F6N2O2/c20-18(21,22)17(29,19(23,24)25)14-8-7-11-4-1-2-6-13(11)15(14)27-16(28)12-5-3-9-26-10-12/h1-10,29H,(H,27,28)
InChIKeyPSEYYXAAEVTFBP-UHFFFAOYSA-N
MW414.31 g/mol
LogP4.80
Rot. Bonds3

About N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]pyridine-3-carboxamide

N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]pyridine-3-carboxamide (PubChem CID 10431921) has the molecular formula C19H12F6N2O2 and a molecular weight of 414.31 g/mol. Its IUPAC name is N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]pyridine-3-carboxamide
PubChem CID10431921
Molecular FormulaC19H12F6N2O2
Molecular Weight414.31 g/mol
Exact Mass414.08
IUPAC NameN-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]pyridine-3-carboxamide
SMILESO=C(Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12)c1cccnc1
InChIInChI=1S/C19H12F6N2O2/c20-18(21,22)17(29,19(23,24)25)14-8-7-11-4-1-2-6-13(11)15(14)27-16(28)12-5-3-9-26-10-12/h1-10,29H,(H,27,28)
InChIKeyPSEYYXAAEVTFBP-UHFFFAOYSA-N
XLogP4.80
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.31
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]pyridine-3-carboxamide (CID 10431921) is N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]pyridine-3-carboxamide is O=C(Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12)c1cccnc1.
What is the InChIKey of N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]pyridine-3-carboxamide?
The InChIKey is PSEYYXAAEVTFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F6N2O2/c20-18(21,22)17(29,19(23,24)25)14-8-7-11-4-1-2-6-13(11)15(14)27-16(28)12-5-3-9-26-10-12/h1-10,29H,(H,27,28).
What are the key properties of N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]pyridine-3-carboxamide?
N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]pyridine-3-carboxamide has a molecular weight of 414.31 g/mol, XLogP of 4.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 10431921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).