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

C12H16F3N3O — CID 79868936

IUPAC2-[butan-2-yl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCC(C)N(C)c1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C12H16F3N3O/c1-4-7(2)18(3)11-8(10(16)19)5-6-9(17-11)12(13,14)15/h5-7H,4H2,1-3H3,(H2,16,19)
InChIKeyWPAXMFSRVAUYJH-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.43
Rot. Bonds4

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

2-[butan-2-yl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 79868936) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-[butan-2-yl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[butan-2-yl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID79868936
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name2-[butan-2-yl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCC(C)N(C)c1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C12H16F3N3O/c1-4-7(2)18(3)11-8(10(16)19)5-6-9(17-11)12(13,14)15/h5-7H,4H2,1-3H3,(H2,16,19)
InChIKeyWPAXMFSRVAUYJH-UHFFFAOYSA-N
XLogP2.43
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[butan-2-yl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 79868936) is 2-[butan-2-yl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[butan-2-yl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[butan-2-yl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide is CCC(C)N(C)c1nc(C(F)(F)F)ccc1C(N)=O.
What is the InChIKey of 2-[butan-2-yl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is WPAXMFSRVAUYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-4-7(2)18(3)11-8(10(16)19)5-6-9(17-11)12(13,14)15/h5-7H,4H2,1-3H3,(H2,16,19).
What are the key properties of 2-[butan-2-yl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
2-[butan-2-yl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 275.27 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 79868936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).