2-methoxy-5-methyl-N-[1-methyl-3-(trifluoromethyl)cyclobutyl]pyridine-4-carboxamide

C14H17F3N2O2 — CID 177139326

IUPAC2-methoxy-5-methyl-N-[1-methyl-3-(trifluoromethyl)cyclobutyl]pyridine-4-carboxamide
SMILESCOc1cc(C(=O)NC2(C)CC(C(F)(F)F)C2)c(C)cn1
InChIInChI=1S/C14H17F3N2O2/c1-8-7-18-11(21-3)4-10(8)12(20)19-13(2)5-9(6-13)14(15,16)17/h4,7,9H,5-6H2,1-3H3,(H,19,20)
InChIKeyRTGFZGHFJCZPRJ-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.86
Rot. Bonds3

About 2-methoxy-5-methyl-N-[1-methyl-3-(trifluoromethyl)cyclobutyl]pyridine-4-carboxamide

2-methoxy-5-methyl-N-[1-methyl-3-(trifluoromethyl)cyclobutyl]pyridine-4-carboxamide (PubChem CID 177139326) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[1-methyl-3-(trifluoromethyl)cyclobutyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[1-methyl-3-(trifluoromethyl)cyclobutyl]pyridine-4-carboxamide
PubChem CID177139326
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name2-methoxy-5-methyl-N-[1-methyl-3-(trifluoromethyl)cyclobutyl]pyridine-4-carboxamide
SMILESCOc1cc(C(=O)NC2(C)CC(C(F)(F)F)C2)c(C)cn1
InChIInChI=1S/C14H17F3N2O2/c1-8-7-18-11(21-3)4-10(8)12(20)19-13(2)5-9(6-13)14(15,16)17/h4,7,9H,5-6H2,1-3H3,(H,19,20)
InChIKeyRTGFZGHFJCZPRJ-UHFFFAOYSA-N
XLogP2.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[1-methyl-3-(trifluoromethyl)cyclobutyl]pyridine-4-carboxamide?
The IUPAC name of 2-methoxy-5-methyl-N-[1-methyl-3-(trifluoromethyl)cyclobutyl]pyridine-4-carboxamide (CID 177139326) is 2-methoxy-5-methyl-N-[1-methyl-3-(trifluoromethyl)cyclobutyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-[1-methyl-3-(trifluoromethyl)cyclobutyl]pyridine-4-carboxamide?
The canonical SMILES for 2-methoxy-5-methyl-N-[1-methyl-3-(trifluoromethyl)cyclobutyl]pyridine-4-carboxamide is COc1cc(C(=O)NC2(C)CC(C(F)(F)F)C2)c(C)cn1.
What is the InChIKey of 2-methoxy-5-methyl-N-[1-methyl-3-(trifluoromethyl)cyclobutyl]pyridine-4-carboxamide?
The InChIKey is RTGFZGHFJCZPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-8-7-18-11(21-3)4-10(8)12(20)19-13(2)5-9(6-13)14(15,16)17/h4,7,9H,5-6H2,1-3H3,(H,19,20).
What are the key properties of 2-methoxy-5-methyl-N-[1-methyl-3-(trifluoromethyl)cyclobutyl]pyridine-4-carboxamide?
2-methoxy-5-methyl-N-[1-methyl-3-(trifluoromethyl)cyclobutyl]pyridine-4-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[1-methyl-3-(trifluoromethyl)cyclobutyl]pyridine-4-carboxamide is sourced from PubChem (CID 177139326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).