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

C11H14F3N3O2 — CID 119399121

IUPAC4-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide
SMILESCNCCCC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C11H14F3N3O2/c1-15-4-2-3-9(18)17-8-5-7(11(12,13)14)6-16-10(8)19/h5-6,15H,2-4H2,1H3,(H,16,19)(H,17,18)
InChIKeyIAZXQTBMYOHZDC-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.33
Rot. Bonds5

About 4-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide

4-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide (PubChem CID 119399121) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 4-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide
PubChem CID119399121
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name4-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide
SMILESCNCCCC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C11H14F3N3O2/c1-15-4-2-3-9(18)17-8-5-7(11(12,13)14)6-16-10(8)19/h5-6,15H,2-4H2,1H3,(H,16,19)(H,17,18)
InChIKeyIAZXQTBMYOHZDC-UHFFFAOYSA-N
XLogP1.33
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide?
The IUPAC name of 4-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide (CID 119399121) is 4-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide.
What is the SMILES notation for 4-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide?
The canonical SMILES for 4-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide is CNCCCC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O.
What is the InChIKey of 4-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide?
The InChIKey is IAZXQTBMYOHZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-15-4-2-3-9(18)17-8-5-7(11(12,13)14)6-16-10(8)19/h5-6,15H,2-4H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 4-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide?
4-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide has a molecular weight of 277.25 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide is sourced from PubChem (CID 119399121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).