3-[(2-cyano-4-pyridinyl)amino]-N,2,2-trimethylpropanamide

C12H16N4O — CID 114167378

IUPAC3-[(2-cyano-4-pyridinyl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1ccnc(C#N)c1
InChIInChI=1S/C12H16N4O/c1-12(2,11(17)14-3)8-16-9-4-5-15-10(6-9)7-13/h4-6H,8H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyZODQFSCPMXSMAW-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.14
Rot. Bonds4

About 3-[(2-cyano-4-pyridinyl)amino]-N,2,2-trimethylpropanamide

3-[(2-cyano-4-pyridinyl)amino]-N,2,2-trimethylpropanamide (PubChem CID 114167378) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-[(2-cyano-4-pyridinyl)amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(2-cyano-4-pyridinyl)amino]-N,2,2-trimethylpropanamide
PubChem CID114167378
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-[(2-cyano-4-pyridinyl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1ccnc(C#N)c1
InChIInChI=1S/C12H16N4O/c1-12(2,11(17)14-3)8-16-9-4-5-15-10(6-9)7-13/h4-6H,8H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyZODQFSCPMXSMAW-UHFFFAOYSA-N
XLogP1.14
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(2-cyano-4-pyridinyl)amino]-N,2,2-trimethylpropanamide 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-[(2-cyano-4-pyridinyl)amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(2-cyano-4-pyridinyl)amino]-N,2,2-trimethylpropanamide (CID 114167378) is 3-[(2-cyano-4-pyridinyl)amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(2-cyano-4-pyridinyl)amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(2-cyano-4-pyridinyl)amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNc1ccnc(C#N)c1.
What is the InChIKey of 3-[(2-cyano-4-pyridinyl)amino]-N,2,2-trimethylpropanamide?
The InChIKey is ZODQFSCPMXSMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-12(2,11(17)14-3)8-16-9-4-5-15-10(6-9)7-13/h4-6H,8H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 3-[(2-cyano-4-pyridinyl)amino]-N,2,2-trimethylpropanamide?
3-[(2-cyano-4-pyridinyl)amino]-N,2,2-trimethylpropanamide has a molecular weight of 232.29 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyano-4-pyridinyl)amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 114167378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).