N-ethyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyridine-4-carboxamide

C17H14F6N2O2 — CID 10111090

IUPACN-ethyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyridine-4-carboxamide
SMILESCCN(C(=O)c1ccncc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C17H14F6N2O2/c1-2-25(14(26)11-7-9-24-10-8-11)13-5-3-12(4-6-13)15(27,16(18,19)20)17(21,22)23/h3-10,27H,2H2,1H3
InChIKeyRNWLFGIPIJCAAQ-UHFFFAOYSA-N
MW392.30 g/mol
LogP4.06
Rot. Bonds4

About N-ethyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyridine-4-carboxamide

N-ethyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyridine-4-carboxamide (PubChem CID 10111090) has the molecular formula C17H14F6N2O2 and a molecular weight of 392.30 g/mol. Its IUPAC name is N-ethyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyridine-4-carboxamide
PubChem CID10111090
Molecular FormulaC17H14F6N2O2
Molecular Weight392.30 g/mol
Exact Mass392.10
IUPAC NameN-ethyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyridine-4-carboxamide
SMILESCCN(C(=O)c1ccncc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C17H14F6N2O2/c1-2-25(14(26)11-7-9-24-10-8-11)13-5-3-12(4-6-13)15(27,16(18,19)20)17(21,22)23/h3-10,27H,2H2,1H3
InChIKeyRNWLFGIPIJCAAQ-UHFFFAOYSA-N
XLogP4.06
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-ethyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyridine-4-carboxamide (CID 10111090) is N-ethyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-ethyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-ethyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyridine-4-carboxamide is CCN(C(=O)c1ccncc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of N-ethyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyridine-4-carboxamide?
The InChIKey is RNWLFGIPIJCAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F6N2O2/c1-2-25(14(26)11-7-9-24-10-8-11)13-5-3-12(4-6-13)15(27,16(18,19)20)17(21,22)23/h3-10,27H,2H2,1H3.
What are the key properties of N-ethyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyridine-4-carboxamide?
N-ethyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyridine-4-carboxamide has a molecular weight of 392.30 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 10111090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).