N-[1-(methoxymethyl)cyclobutyl]-N-methyl-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide

C14H17F3N2O3 — CID 138024253

IUPACN-[1-(methoxymethyl)cyclobutyl]-N-methyl-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCOCC1(N(C)C(=O)c2c[nH]c(=O)c(C(F)(F)F)c2)CCC1
InChIInChI=1S/C14H17F3N2O3/c1-19(13(8-22-2)4-3-5-13)12(21)9-6-10(14(15,16)17)11(20)18-7-9/h6-7H,3-5,8H2,1-2H3,(H,18,20)
InChIKeyXRZJJBAWKCOOBM-UHFFFAOYSA-N
MW318.30 g/mol
LogP2.03
Rot. Bonds4

About N-[1-(methoxymethyl)cyclobutyl]-N-methyl-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[1-(methoxymethyl)cyclobutyl]-N-methyl-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 138024253) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.30 g/mol. Its IUPAC name is N-[1-(methoxymethyl)cyclobutyl]-N-methyl-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(methoxymethyl)cyclobutyl]-N-methyl-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID138024253
Molecular FormulaC14H17F3N2O3
Molecular Weight318.30 g/mol
Exact Mass318.12
IUPAC NameN-[1-(methoxymethyl)cyclobutyl]-N-methyl-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCOCC1(N(C)C(=O)c2c[nH]c(=O)c(C(F)(F)F)c2)CCC1
InChIInChI=1S/C14H17F3N2O3/c1-19(13(8-22-2)4-3-5-13)12(21)9-6-10(14(15,16)17)11(20)18-7-9/h6-7H,3-5,8H2,1-2H3,(H,18,20)
InChIKeyXRZJJBAWKCOOBM-UHFFFAOYSA-N
XLogP2.03
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(methoxymethyl)cyclobutyl]-N-methyl-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1-(methoxymethyl)cyclobutyl]-N-methyl-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 138024253) is N-[1-(methoxymethyl)cyclobutyl]-N-methyl-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(methoxymethyl)cyclobutyl]-N-methyl-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1-(methoxymethyl)cyclobutyl]-N-methyl-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide is COCC1(N(C)C(=O)c2c[nH]c(=O)c(C(F)(F)F)c2)CCC1.
What is the InChIKey of N-[1-(methoxymethyl)cyclobutyl]-N-methyl-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is XRZJJBAWKCOOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3/c1-19(13(8-22-2)4-3-5-13)12(21)9-6-10(14(15,16)17)11(20)18-7-9/h6-7H,3-5,8H2,1-2H3,(H,18,20).
What are the key properties of N-[1-(methoxymethyl)cyclobutyl]-N-methyl-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[1-(methoxymethyl)cyclobutyl]-N-methyl-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 318.30 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methoxymethyl)cyclobutyl]-N-methyl-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 138024253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).