N-(1-amino-2,3-dimethyl-1-oxobutan-2-yl)-5-(trifluoromethoxy)pyridine-2-carboxamide

C13H16F3N3O3 — CID 19860744

IUPACN-(1-amino-2,3-dimethyl-1-oxobutan-2-yl)-5-(trifluoromethoxy)pyridine-2-carboxamide
SMILESCC(C)C(C)(NC(=O)c1ccc(OC(F)(F)F)cn1)C(N)=O
InChIInChI=1S/C13H16F3N3O3/c1-7(2)12(3,11(17)21)19-10(20)9-5-4-8(6-18-9)22-13(14,15)16/h4-7H,1-3H3,(H2,17,21)(H,19,20)
InChIKeyKNHSMYCWIIHDEJ-UHFFFAOYSA-N
MW319.28 g/mol
LogP1.61
Rot. Bonds5

About N-(1-amino-2,3-dimethyl-1-oxobutan-2-yl)-5-(trifluoromethoxy)pyridine-2-carboxamide

N-(1-amino-2,3-dimethyl-1-oxobutan-2-yl)-5-(trifluoromethoxy)pyridine-2-carboxamide (PubChem CID 19860744) has the molecular formula C13H16F3N3O3 and a molecular weight of 319.28 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethyl-1-oxobutan-2-yl)-5-(trifluoromethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethyl-1-oxobutan-2-yl)-5-(trifluoromethoxy)pyridine-2-carboxamide
PubChem CID19860744
Molecular FormulaC13H16F3N3O3
Molecular Weight319.28 g/mol
Exact Mass319.11
IUPAC NameN-(1-amino-2,3-dimethyl-1-oxobutan-2-yl)-5-(trifluoromethoxy)pyridine-2-carboxamide
SMILESCC(C)C(C)(NC(=O)c1ccc(OC(F)(F)F)cn1)C(N)=O
InChIInChI=1S/C13H16F3N3O3/c1-7(2)12(3,11(17)21)19-10(20)9-5-4-8(6-18-9)22-13(14,15)16/h4-7H,1-3H3,(H2,17,21)(H,19,20)
InChIKeyKNHSMYCWIIHDEJ-UHFFFAOYSA-N
XLogP1.61
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethyl-1-oxobutan-2-yl)-5-(trifluoromethoxy)pyridine-2-carboxamide?
The IUPAC name of N-(1-amino-2,3-dimethyl-1-oxobutan-2-yl)-5-(trifluoromethoxy)pyridine-2-carboxamide (CID 19860744) is N-(1-amino-2,3-dimethyl-1-oxobutan-2-yl)-5-(trifluoromethoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-(1-amino-2,3-dimethyl-1-oxobutan-2-yl)-5-(trifluoromethoxy)pyridine-2-carboxamide?
The canonical SMILES for N-(1-amino-2,3-dimethyl-1-oxobutan-2-yl)-5-(trifluoromethoxy)pyridine-2-carboxamide is CC(C)C(C)(NC(=O)c1ccc(OC(F)(F)F)cn1)C(N)=O.
What is the InChIKey of N-(1-amino-2,3-dimethyl-1-oxobutan-2-yl)-5-(trifluoromethoxy)pyridine-2-carboxamide?
The InChIKey is KNHSMYCWIIHDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O3/c1-7(2)12(3,11(17)21)19-10(20)9-5-4-8(6-18-9)22-13(14,15)16/h4-7H,1-3H3,(H2,17,21)(H,19,20).
What are the key properties of N-(1-amino-2,3-dimethyl-1-oxobutan-2-yl)-5-(trifluoromethoxy)pyridine-2-carboxamide?
N-(1-amino-2,3-dimethyl-1-oxobutan-2-yl)-5-(trifluoromethoxy)pyridine-2-carboxamide has a molecular weight of 319.28 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethyl-1-oxobutan-2-yl)-5-(trifluoromethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 19860744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).