N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]propanamide

C15H22N4O — CID 115626557

IUPACN-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]propanamide
SMILESCc1cc(C)c(C#N)c(NC(C)C(=O)NC(C)(C)C)n1
InChIInChI=1S/C15H22N4O/c1-9-7-10(2)17-13(12(9)8-16)18-11(3)14(20)19-15(4,5)6/h7,11H,1-6H3,(H,17,18)(H,19,20)
InChIKeyMBZGBYFRQYSBDS-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.29
Rot. Bonds3

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

N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]propanamide (PubChem CID 115626557) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]propanamide
PubChem CID115626557
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]propanamide
SMILESCc1cc(C)c(C#N)c(NC(C)C(=O)NC(C)(C)C)n1
InChIInChI=1S/C15H22N4O/c1-9-7-10(2)17-13(12(9)8-16)18-11(3)14(20)19-15(4,5)6/h7,11H,1-6H3,(H,17,18)(H,19,20)
InChIKeyMBZGBYFRQYSBDS-UHFFFAOYSA-N
XLogP2.29
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]propanamide?
The IUPAC name of N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]propanamide (CID 115626557) is N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]propanamide is Cc1cc(C)c(C#N)c(NC(C)C(=O)NC(C)(C)C)n1.
What is the InChIKey of N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]propanamide?
The InChIKey is MBZGBYFRQYSBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-9-7-10(2)17-13(12(9)8-16)18-11(3)14(20)19-15(4,5)6/h7,11H,1-6H3,(H,17,18)(H,19,20).
What are the key properties of N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]propanamide?
N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]propanamide has a molecular weight of 274.37 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]propanamide is sourced from PubChem (CID 115626557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).