5-amino-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxamide

C11H15F3N4O — CID 55011059

IUPAC5-amino-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxamide
SMILESCC(C)N(CC(F)(F)F)c1ncc(N)cc1C(N)=O
InChIInChI=1S/C11H15F3N4O/c1-6(2)18(5-11(12,13)14)10-8(9(16)19)3-7(15)4-17-10/h3-4,6H,5,15H2,1-2H3,(H2,16,19)
InChIKeySZUGUAGLGFMJFZ-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.54
Rot. Bonds4

About 5-amino-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxamide

5-amino-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxamide (PubChem CID 55011059) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is 5-amino-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxamide
PubChem CID55011059
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name5-amino-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxamide
SMILESCC(C)N(CC(F)(F)F)c1ncc(N)cc1C(N)=O
InChIInChI=1S/C11H15F3N4O/c1-6(2)18(5-11(12,13)14)10-8(9(16)19)3-7(15)4-17-10/h3-4,6H,5,15H2,1-2H3,(H2,16,19)
InChIKeySZUGUAGLGFMJFZ-UHFFFAOYSA-N
XLogP1.54
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxamide (CID 55011059) is 5-amino-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxamide is CC(C)N(CC(F)(F)F)c1ncc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxamide?
The InChIKey is SZUGUAGLGFMJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-6(2)18(5-11(12,13)14)10-8(9(16)19)3-7(15)4-17-10/h3-4,6H,5,15H2,1-2H3,(H2,16,19).
What are the key properties of 5-amino-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxamide?
5-amino-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxamide has a molecular weight of 276.26 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 55011059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).