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

C11H14F3N3O — CID 79869003

IUPAC2-[methyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)N(C)c1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C11H14F3N3O/c1-6(2)17(3)10-7(9(15)18)4-5-8(16-10)11(12,13)14/h4-6H,1-3H3,(H2,15,18)
InChIKeyMJLUSOKDEKZEEU-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.04
Rot. Bonds3

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

2-[methyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 79869003) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-[methyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[methyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID79869003
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name2-[methyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)N(C)c1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C11H14F3N3O/c1-6(2)17(3)10-7(9(15)18)4-5-8(16-10)11(12,13)14/h4-6H,1-3H3,(H2,15,18)
InChIKeyMJLUSOKDEKZEEU-UHFFFAOYSA-N
XLogP2.04
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butan-2-yl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868936
2-[1-cyanopropan-2-yl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868712
2-[methyl(3,3,3-trifluoropropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875830
2-[methyl(3-methylbutan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79877515
2-[cyclopropylmethyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875324
4-[[3-carbamoyl-6-(trifluoromethyl)-2-pyridinyl]-methylamino]butanoic acid
CID 79874313
2-[2-[methyl(propan-2-yl)amino]ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875508
2-[ethyl(2,2,2-trifluoroethyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875332
2-[1-cyclopropylethyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79877446
2-[methyl(oxolan-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 82738993
2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875156
N,2-dimethyl-N-propan-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 69435136

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[methyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 79869003) is 2-[methyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[methyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[methyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide is CC(C)N(C)c1nc(C(F)(F)F)ccc1C(N)=O.
What is the InChIKey of 2-[methyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is MJLUSOKDEKZEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-6(2)17(3)10-7(9(15)18)4-5-8(16-10)11(12,13)14/h4-6H,1-3H3,(H2,15,18).
What are the key properties of 2-[methyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
2-[methyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 261.25 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 79869003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).