N-[4-amino-1-methoxy-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-2,2,2-trifluoro-N-methylacetamide

C10H9F6N3O3 — CID 146262389

IUPACN-[4-amino-1-methoxy-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCOn1c(C(F)(F)F)cc(N)c(N(C)C(=O)C(F)(F)F)c1=O
InChIInChI=1S/C10H9F6N3O3/c1-18(8(21)10(14,15)16)6-4(17)3-5(9(11,12)13)19(22-2)7(6)20/h3H,17H2,1-2H3
InChIKeyZVQBACHKJGTVGB-UHFFFAOYSA-N
MW333.19 g/mol
LogP1.03
Rot. Bonds2

About N-[4-amino-1-methoxy-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-2,2,2-trifluoro-N-methylacetamide

N-[4-amino-1-methoxy-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-2,2,2-trifluoro-N-methylacetamide (PubChem CID 146262389) has the molecular formula C10H9F6N3O3 and a molecular weight of 333.19 g/mol. Its IUPAC name is N-[4-amino-1-methoxy-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-[4-amino-1-methoxy-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-2,2,2-trifluoro-N-methylacetamide
PubChem CID146262389
Molecular FormulaC10H9F6N3O3
Molecular Weight333.19 g/mol
Exact Mass333.05
IUPAC NameN-[4-amino-1-methoxy-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCOn1c(C(F)(F)F)cc(N)c(N(C)C(=O)C(F)(F)F)c1=O
InChIInChI=1S/C10H9F6N3O3/c1-18(8(21)10(14,15)16)6-4(17)3-5(9(11,12)13)19(22-2)7(6)20/h3H,17H2,1-2H3
InChIKeyZVQBACHKJGTVGB-UHFFFAOYSA-N
XLogP1.03
TPSA77.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-1-methoxy-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-[4-amino-1-methoxy-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-2,2,2-trifluoro-N-methylacetamide (CID 146262389) is N-[4-amino-1-methoxy-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-[4-amino-1-methoxy-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-[4-amino-1-methoxy-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-2,2,2-trifluoro-N-methylacetamide is COn1c(C(F)(F)F)cc(N)c(N(C)C(=O)C(F)(F)F)c1=O.
What is the InChIKey of N-[4-amino-1-methoxy-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is ZVQBACHKJGTVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F6N3O3/c1-18(8(21)10(14,15)16)6-4(17)3-5(9(11,12)13)19(22-2)7(6)20/h3H,17H2,1-2H3.
What are the key properties of N-[4-amino-1-methoxy-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-2,2,2-trifluoro-N-methylacetamide?
N-[4-amino-1-methoxy-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 333.19 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-1-methoxy-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 146262389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).