2-[1-cyanopropan-2-yl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide

C12H13F3N4O — CID 79868712

IUPAC2-[1-cyanopropan-2-yl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(CC#N)N(C)c1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C12H13F3N4O/c1-7(5-6-16)19(2)11-8(10(17)20)3-4-9(18-11)12(13,14)15/h3-4,7H,5H2,1-2H3,(H2,17,20)
InChIKeyWSOSRRIJISPOJX-UHFFFAOYSA-N
MW286.26 g/mol
LogP1.94
Rot. Bonds4

About 2-[1-cyanopropan-2-yl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide

2-[1-cyanopropan-2-yl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 79868712) has the molecular formula C12H13F3N4O and a molecular weight of 286.26 g/mol. Its IUPAC name is 2-[1-cyanopropan-2-yl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-cyanopropan-2-yl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID79868712
Molecular FormulaC12H13F3N4O
Molecular Weight286.26 g/mol
Exact Mass286.10
IUPAC Name2-[1-cyanopropan-2-yl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(CC#N)N(C)c1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C12H13F3N4O/c1-7(5-6-16)19(2)11-8(10(17)20)3-4-9(18-11)12(13,14)15/h3-4,7H,5H2,1-2H3,(H2,17,20)
InChIKeyWSOSRRIJISPOJX-UHFFFAOYSA-N
XLogP1.94
TPSA83.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-cyanopropan-2-yl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyanopropan-2-yl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[1-cyanopropan-2-yl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 79868712) is 2-[1-cyanopropan-2-yl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[1-cyanopropan-2-yl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[1-cyanopropan-2-yl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide is CC(CC#N)N(C)c1nc(C(F)(F)F)ccc1C(N)=O.
What is the InChIKey of 2-[1-cyanopropan-2-yl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is WSOSRRIJISPOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O/c1-7(5-6-16)19(2)11-8(10(17)20)3-4-9(18-11)12(13,14)15/h3-4,7H,5H2,1-2H3,(H2,17,20).
What are the key properties of 2-[1-cyanopropan-2-yl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
2-[1-cyanopropan-2-yl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 286.26 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyanopropan-2-yl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 79868712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).