4-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]-N,N-diethylbutanamide

C15H19F3N4O — CID 56791297

IUPAC4-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]-N,N-diethylbutanamide
SMILESCCN(CC)C(=O)CCCNc1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C15H19F3N4O/c1-3-22(4-2)13(23)6-5-9-20-14-11(10-19)7-8-12(21-14)15(16,17)18/h7-8H,3-6,9H2,1-2H3,(H,20,21)
InChIKeyAZBWGQGULYBHBN-UHFFFAOYSA-N
MW328.34 g/mol
LogP3.03
Rot. Bonds7

About 4-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]-N,N-diethylbutanamide

4-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]-N,N-diethylbutanamide (PubChem CID 56791297) has the molecular formula C15H19F3N4O and a molecular weight of 328.34 g/mol. Its IUPAC name is 4-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]-N,N-diethylbutanamide.

Molecular Properties

Compound Name4-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]-N,N-diethylbutanamide
PubChem CID56791297
Molecular FormulaC15H19F3N4O
Molecular Weight328.34 g/mol
Exact Mass328.15
IUPAC Name4-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]-N,N-diethylbutanamide
SMILESCCN(CC)C(=O)CCCNc1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C15H19F3N4O/c1-3-22(4-2)13(23)6-5-9-20-14-11(10-19)7-8-12(21-14)15(16,17)18/h7-8H,3-6,9H2,1-2H3,(H,20,21)
InChIKeyAZBWGQGULYBHBN-UHFFFAOYSA-N
XLogP3.03
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]-N,N-diethylbutanamide?
The IUPAC name of 4-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]-N,N-diethylbutanamide (CID 56791297) is 4-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]-N,N-diethylbutanamide.
What is the SMILES notation for 4-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]-N,N-diethylbutanamide?
The canonical SMILES for 4-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]-N,N-diethylbutanamide is CCN(CC)C(=O)CCCNc1nc(C(F)(F)F)ccc1C#N.
What is the InChIKey of 4-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]-N,N-diethylbutanamide?
The InChIKey is AZBWGQGULYBHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O/c1-3-22(4-2)13(23)6-5-9-20-14-11(10-19)7-8-12(21-14)15(16,17)18/h7-8H,3-6,9H2,1-2H3,(H,20,21).
What are the key properties of 4-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]-N,N-diethylbutanamide?
4-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]-N,N-diethylbutanamide has a molecular weight of 328.34 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]-N,N-diethylbutanamide is sourced from PubChem (CID 56791297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).