6-(propan-2-yloxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide

C18H19F3N2O3 — CID 67879321

IUPAC6-(propan-2-yloxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
SMILESCC(C)OCc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)cn1
InChIInChI=1S/C18H19F3N2O3/c1-12(2)25-10-15-4-3-13(9-22-15)17(24)23-14-5-7-16(8-6-14)26-11-18(19,20)21/h3-9,12H,10-11H2,1-2H3,(H,23,24)
InChIKeyQPQPLCATMRAATQ-UHFFFAOYSA-N
MW368.36 g/mol
LogP4.20
Rot. Bonds7

About 6-(propan-2-yloxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide

6-(propan-2-yloxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 67879321) has the molecular formula C18H19F3N2O3 and a molecular weight of 368.36 g/mol. Its IUPAC name is 6-(propan-2-yloxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(propan-2-yloxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
PubChem CID67879321
Molecular FormulaC18H19F3N2O3
Molecular Weight368.36 g/mol
Exact Mass368.13
IUPAC Name6-(propan-2-yloxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
SMILESCC(C)OCc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)cn1
InChIInChI=1S/C18H19F3N2O3/c1-12(2)25-10-15-4-3-13(9-22-15)17(24)23-14-5-7-16(8-6-14)26-11-18(19,20)21/h3-9,12H,10-11H2,1-2H3,(H,23,24)
InChIKeyQPQPLCATMRAATQ-UHFFFAOYSA-N
XLogP4.20
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(propan-2-yloxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(propan-2-yloxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide (CID 67879321) is 6-(propan-2-yloxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(propan-2-yloxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(propan-2-yloxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide is CC(C)OCc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)cn1.
What is the InChIKey of 6-(propan-2-yloxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is QPQPLCATMRAATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3/c1-12(2)25-10-15-4-3-13(9-22-15)17(24)23-14-5-7-16(8-6-14)26-11-18(19,20)21/h3-9,12H,10-11H2,1-2H3,(H,23,24).
What are the key properties of 6-(propan-2-yloxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide?
6-(propan-2-yloxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 368.36 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(propan-2-yloxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 67879321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).