N-[cyano(pyridin-2-yl)methyl]-2,2-dimethylpropanamide

C12H15N3O — CID 82113909

IUPACN-[cyano(pyridin-2-yl)methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC(C#N)c1ccccn1
InChIInChI=1S/C12H15N3O/c1-12(2,3)11(16)15-10(8-13)9-6-4-5-7-14-9/h4-7,10H,1-3H3,(H,15,16)
InChIKeyZDXUXAAOYKONHP-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.81
Rot. Bonds2

About N-[cyano(pyridin-2-yl)methyl]-2,2-dimethylpropanamide

N-[cyano(pyridin-2-yl)methyl]-2,2-dimethylpropanamide (PubChem CID 82113909) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-[cyano(pyridin-2-yl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[cyano(pyridin-2-yl)methyl]-2,2-dimethylpropanamide
PubChem CID82113909
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-[cyano(pyridin-2-yl)methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC(C#N)c1ccccn1
InChIInChI=1S/C12H15N3O/c1-12(2,3)11(16)15-10(8-13)9-6-4-5-7-14-9/h4-7,10H,1-3H3,(H,15,16)
InChIKeyZDXUXAAOYKONHP-UHFFFAOYSA-N
XLogP1.81
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-(1-pyridin-2-ylethyl)propanamide
CID 60629083
N-[cyano(pyridin-2-yl)methyl]-3-methylbutanamide
CID 82113908
N-[cyano(pyridin-2-yl)methyl]-3-methoxybenzamide
CID 82122992
(2R)-N-tert-butyl-2-cyano-2-pyridin-2-ylacetamide
CID 97253743
N-[cyano(pyridin-2-yl)methyl]-3-fluorobenzamide
CID 82120265
N-[cyano(furan-2-yl)methyl]-2,2-dimethylpropanamide
CID 13075793
2-bromo-2-methyl-N-(1-pyridin-2-ylethyl)propanamide
CID 114327632
[cyano(pyridin-2-yl)methyl] methyl carbonate
CID 11252507
2-[hydroxy(pyridin-2-yl)methyl]-2-methylbutanenitrile
CID 79137493
2,2-dimethyl-N-(2-phenyl-2-pyridin-2-ylethyl)propanamide
CID 16927739
(1R)-1-hydroxy-3,3-dimethyl-1-pyridin-2-ylbutan-2-one
CID 166005900
methyl 3-cyano-2-oxo-3-pyridin-2-ylpropanoate
CID 3528141

Frequently Asked Questions

What is the IUPAC name of N-[cyano(pyridin-2-yl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[cyano(pyridin-2-yl)methyl]-2,2-dimethylpropanamide (CID 82113909) is N-[cyano(pyridin-2-yl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[cyano(pyridin-2-yl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[cyano(pyridin-2-yl)methyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC(C#N)c1ccccn1.
What is the InChIKey of N-[cyano(pyridin-2-yl)methyl]-2,2-dimethylpropanamide?
The InChIKey is ZDXUXAAOYKONHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-12(2,3)11(16)15-10(8-13)9-6-4-5-7-14-9/h4-7,10H,1-3H3,(H,15,16).
What are the key properties of N-[cyano(pyridin-2-yl)methyl]-2,2-dimethylpropanamide?
N-[cyano(pyridin-2-yl)methyl]-2,2-dimethylpropanamide has a molecular weight of 217.27 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(pyridin-2-yl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 82113909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).