3-amino-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide

C10H12F3N3O2 — CID 119399147

IUPAC3-amino-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide
SMILESCC(N)CC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C10H12F3N3O2/c1-5(14)2-8(17)16-7-3-6(10(11,12)13)4-15-9(7)18/h3-5H,2,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyDUFFJMDRUJVNOB-UHFFFAOYSA-N
MW263.22 g/mol
LogP1.07
Rot. Bonds3

About 3-amino-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide

3-amino-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide (PubChem CID 119399147) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 3-amino-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide.

Molecular Properties

Compound Name3-amino-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide
PubChem CID119399147
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name3-amino-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide
SMILESCC(N)CC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C10H12F3N3O2/c1-5(14)2-8(17)16-7-3-6(10(11,12)13)4-15-9(7)18/h3-5H,2,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyDUFFJMDRUJVNOB-UHFFFAOYSA-N
XLogP1.07
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide?
The IUPAC name of 3-amino-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide (CID 119399147) is 3-amino-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide.
What is the SMILES notation for 3-amino-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide?
The canonical SMILES for 3-amino-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide is CC(N)CC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O.
What is the InChIKey of 3-amino-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide?
The InChIKey is DUFFJMDRUJVNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c1-5(14)2-8(17)16-7-3-6(10(11,12)13)4-15-9(7)18/h3-5H,2,14H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 3-amino-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide?
3-amino-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide has a molecular weight of 263.22 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide is sourced from PubChem (CID 119399147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).