N-(2-amino-2-oxoethyl)-4-(trifluoromethyl)pyridine-3-carboxamide

C9H8F3N3O2 — CID 76965321

IUPACN-(2-amino-2-oxoethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)CNC(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C9H8F3N3O2/c10-9(11,12)6-1-2-14-3-5(6)8(17)15-4-7(13)16/h1-3H,4H2,(H2,13,16)(H,15,17)
InChIKeyFZAQQBPOTJCLJM-UHFFFAOYSA-N
MW247.18 g/mol
LogP0.32
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-4-(trifluoromethyl)pyridine-3-carboxamide

N-(2-amino-2-oxoethyl)-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 76965321) has the molecular formula C9H8F3N3O2 and a molecular weight of 247.18 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID76965321
Molecular FormulaC9H8F3N3O2
Molecular Weight247.18 g/mol
Exact Mass247.06
IUPAC NameN-(2-amino-2-oxoethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)CNC(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C9H8F3N3O2/c10-9(11,12)6-1-2-14-3-5(6)8(17)15-4-7(13)16/h1-3H,4H2,(H2,13,16)(H,15,17)
InChIKeyFZAQQBPOTJCLJM-UHFFFAOYSA-N
XLogP0.32
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-(trifluoromethyl)pyridine-3-carboxamide (CID 76965321) is N-(2-amino-2-oxoethyl)-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-(trifluoromethyl)pyridine-3-carboxamide is NC(=O)CNC(=O)c1cnccc1C(F)(F)F.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is FZAQQBPOTJCLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O2/c10-9(11,12)6-1-2-14-3-5(6)8(17)15-4-7(13)16/h1-3H,4H2,(H2,13,16)(H,15,17).
What are the key properties of N-(2-amino-2-oxoethyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
N-(2-amino-2-oxoethyl)-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 247.18 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 76965321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).