3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]-N,N-diethylpropanamide

C15H22N4O — CID 81051927

IUPAC3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNc1cc(C)nc(C)c1C#N
InChIInChI=1S/C15H22N4O/c1-5-19(6-2)15(20)7-8-17-14-9-11(3)18-12(4)13(14)10-16/h9H,5-8H2,1-4H3,(H,17,18)
InChIKeyYGORORMXPIROJW-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.24
Rot. Bonds6

About 3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]-N,N-diethylpropanamide

3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]-N,N-diethylpropanamide (PubChem CID 81051927) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]-N,N-diethylpropanamide
PubChem CID81051927
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNc1cc(C)nc(C)c1C#N
InChIInChI=1S/C15H22N4O/c1-5-19(6-2)15(20)7-8-17-14-9-11(3)18-12(4)13(14)10-16/h9H,5-8H2,1-4H3,(H,17,18)
InChIKeyYGORORMXPIROJW-UHFFFAOYSA-N
XLogP2.24
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]-N,N-diethylpropanamide?
The IUPAC name of 3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]-N,N-diethylpropanamide (CID 81051927) is 3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]-N,N-diethylpropanamide is CCN(CC)C(=O)CCNc1cc(C)nc(C)c1C#N.
What is the InChIKey of 3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]-N,N-diethylpropanamide?
The InChIKey is YGORORMXPIROJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-5-19(6-2)15(20)7-8-17-14-9-11(3)18-12(4)13(14)10-16/h9H,5-8H2,1-4H3,(H,17,18).
What are the key properties of 3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]-N,N-diethylpropanamide?
3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]-N,N-diethylpropanamide has a molecular weight of 274.37 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]-N,N-diethylpropanamide is sourced from PubChem (CID 81051927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).