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

C16H15F3N2O3 — CID 67879398

IUPAC6-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
SMILESCOCc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)cn1
InChIInChI=1S/C16H15F3N2O3/c1-23-9-13-3-2-11(8-20-13)15(22)21-12-4-6-14(7-5-12)24-10-16(17,18)19/h2-8H,9-10H2,1H3,(H,21,22)
InChIKeyCIIFFPXESCHJLQ-UHFFFAOYSA-N
MW340.30 g/mol
LogP3.42
Rot. Bonds6

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

6-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 67879398) has the molecular formula C16H15F3N2O3 and a molecular weight of 340.30 g/mol. Its IUPAC name is 6-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
PubChem CID67879398
Molecular FormulaC16H15F3N2O3
Molecular Weight340.30 g/mol
Exact Mass340.10
IUPAC Name6-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
SMILESCOCc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)cn1
InChIInChI=1S/C16H15F3N2O3/c1-23-9-13-3-2-11(8-20-13)15(22)21-12-4-6-14(7-5-12)24-10-16(17,18)19/h2-8H,9-10H2,1H3,(H,21,22)
InChIKeyCIIFFPXESCHJLQ-UHFFFAOYSA-N
XLogP3.42
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide (CID 67879398) is 6-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide is COCc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)cn1.
What is the InChIKey of 6-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is CIIFFPXESCHJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3/c1-23-9-13-3-2-11(8-20-13)15(22)21-12-4-6-14(7-5-12)24-10-16(17,18)19/h2-8H,9-10H2,1H3,(H,21,22).
What are the key properties of 6-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide?
6-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 340.30 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 67879398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).