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

C11H13F3N2O2 — CID 47137187

IUPAC3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide
SMILESCC(C)CC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C11H13F3N2O2/c1-6(2)3-9(17)16-8-4-7(11(12,13)14)5-15-10(8)18/h4-6H,3H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyGZAAJXDNTMTPNP-UHFFFAOYSA-N
MW262.23 g/mol
LogP2.38
Rot. Bonds3

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

3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide (PubChem CID 47137187) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide
PubChem CID47137187
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide
SMILESCC(C)CC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C11H13F3N2O2/c1-6(2)3-9(17)16-8-4-7(11(12,13)14)5-15-10(8)18/h4-6H,3H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyGZAAJXDNTMTPNP-UHFFFAOYSA-N
XLogP2.38
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide?
The IUPAC name of 3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide (CID 47137187) is 3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide?
The canonical SMILES for 3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide is CC(C)CC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O.
What is the InChIKey of 3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide?
The InChIKey is GZAAJXDNTMTPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-6(2)3-9(17)16-8-4-7(11(12,13)14)5-15-10(8)18/h4-6H,3H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide?
3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide has a molecular weight of 262.23 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide is sourced from PubChem (CID 47137187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).