3-[(6-cyano-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide

C12H16N4O — CID 113248913

IUPAC3-[(6-cyano-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1cccc(C#N)n1
InChIInChI=1S/C12H16N4O/c1-9(12(17)14-2)8-16(3)11-6-4-5-10(7-13)15-11/h4-6,9H,8H2,1-3H3,(H,14,17)
InChIKeyQKLMILXFNHMEBC-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.77
Rot. Bonds4

About 3-[(6-cyano-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide

3-[(6-cyano-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide (PubChem CID 113248913) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-[(6-cyano-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(6-cyano-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide
PubChem CID113248913
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-[(6-cyano-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1cccc(C#N)n1
InChIInChI=1S/C12H16N4O/c1-9(12(17)14-2)8-16(3)11-6-4-5-10(7-13)15-11/h4-6,9H,8H2,1-3H3,(H,14,17)
InChIKeyQKLMILXFNHMEBC-UHFFFAOYSA-N
XLogP0.77
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(6-cyano-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(6-cyano-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[(6-cyano-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide (CID 113248913) is 3-[(6-cyano-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[(6-cyano-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[(6-cyano-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)c1cccc(C#N)n1.
What is the InChIKey of 3-[(6-cyano-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide?
The InChIKey is QKLMILXFNHMEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9(12(17)14-2)8-16(3)11-6-4-5-10(7-13)15-11/h4-6,9H,8H2,1-3H3,(H,14,17).
What are the key properties of 3-[(6-cyano-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide?
3-[(6-cyano-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide has a molecular weight of 232.29 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-cyano-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 113248913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).