2-[methyl(oxolan-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide

C12H14F3N3O2 — CID 82738993

IUPAC2-[methyl(oxolan-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCN(c1nc(C(F)(F)F)ccc1C(N)=O)C1CCOC1
InChIInChI=1S/C12H14F3N3O2/c1-18(7-4-5-20-6-7)11-8(10(16)19)2-3-9(17-11)12(13,14)15/h2-3,7H,4-6H2,1H3,(H2,16,19)
InChIKeyWAJIAKJDNOZKTJ-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.42
Rot. Bonds3

About 2-[methyl(oxolan-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide

2-[methyl(oxolan-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 82738993) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is 2-[methyl(oxolan-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[methyl(oxolan-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID82738993
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC Name2-[methyl(oxolan-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCN(c1nc(C(F)(F)F)ccc1C(N)=O)C1CCOC1
InChIInChI=1S/C12H14F3N3O2/c1-18(7-4-5-20-6-7)11-8(10(16)19)2-3-9(17-11)12(13,14)15/h2-3,7H,4-6H2,1H3,(H2,16,19)
InChIKeyWAJIAKJDNOZKTJ-UHFFFAOYSA-N
XLogP1.42
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(oxolan-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[methyl(oxolan-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 82738993) is 2-[methyl(oxolan-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[methyl(oxolan-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[methyl(oxolan-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide is CN(c1nc(C(F)(F)F)ccc1C(N)=O)C1CCOC1.
What is the InChIKey of 2-[methyl(oxolan-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is WAJIAKJDNOZKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c1-18(7-4-5-20-6-7)11-8(10(16)19)2-3-9(17-11)12(13,14)15/h2-3,7H,4-6H2,1H3,(H2,16,19).
What are the key properties of 2-[methyl(oxolan-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
2-[methyl(oxolan-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 289.26 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(oxolan-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 82738993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).