N-(5-cyano-2-pyridinyl)-N,2,2-trimethylpropanamide

C12H15N3O — CID 115268043

IUPACN-(5-cyano-2-pyridinyl)-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)C)c1ccc(C#N)cn1
InChIInChI=1S/C12H15N3O/c1-12(2,3)11(16)15(4)10-6-5-9(7-13)8-14-10/h5-6,8H,1-4H3
InChIKeyYTABSAQDADJXDN-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.96
Rot. Bonds1

About N-(5-cyano-2-pyridinyl)-N,2,2-trimethylpropanamide

N-(5-cyano-2-pyridinyl)-N,2,2-trimethylpropanamide (PubChem CID 115268043) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(5-cyano-2-pyridinyl)-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-(5-cyano-2-pyridinyl)-N,2,2-trimethylpropanamide
PubChem CID115268043
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-(5-cyano-2-pyridinyl)-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)C)c1ccc(C#N)cn1
InChIInChI=1S/C12H15N3O/c1-12(2,3)11(16)15(4)10-6-5-9(7-13)8-14-10/h5-6,8H,1-4H3
InChIKeyYTABSAQDADJXDN-UHFFFAOYSA-N
XLogP1.96
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-cyano-2-pyridinyl)-N-methylpyridine-4-carboxamide
CID 115273544
N-(5-cyano-2-pyridinyl)-2-ethyl-N-methylbutanamide
CID 115268044
N-(5-cyano-2-pyridinyl)-3-cyclopentyl-N-methylpropanamide
CID 115273575
N-(5-cyano-2-pyridinyl)-4-ethyl-N-methylbenzamide
CID 115273533
N-(5-cyano-2-pyridinyl)-2-(4-fluorophenyl)-N-methylacetamide
CID 115268063
6-[dimethylsulfamoyl(methyl)amino]pyridine-3-carbonitrile
CID 115268088
N-[4-[3-(4-cyanophenoxy)propoxy]phenyl]-N,2,2-trimethylpropanamide
CID 112827984
tert-butyl (2S)-2-[(5-cyano-2-pyridinyl)-methylcarbamoyl]pyrrolidine-1-carboxylate
CID 167881567
tert-butyl 3-[(5-cyano-2-pyridinyl)-methylamino]azetidine-1-carboxylate
CID 169219644
tert-butyl-[2-[(5-cyano-2-pyridinyl)-ethylamino]ethyl]carbamic acid
CID 175931430
6-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carbonitrile
CID 61397772
N-(5-cyano-2-pyridinyl)-2-methylpropane-2-sulfonamide
CID 63687678

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-pyridinyl)-N,2,2-trimethylpropanamide?
The IUPAC name of N-(5-cyano-2-pyridinyl)-N,2,2-trimethylpropanamide (CID 115268043) is N-(5-cyano-2-pyridinyl)-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-(5-cyano-2-pyridinyl)-N,2,2-trimethylpropanamide?
The canonical SMILES for N-(5-cyano-2-pyridinyl)-N,2,2-trimethylpropanamide is CN(C(=O)C(C)(C)C)c1ccc(C#N)cn1.
What is the InChIKey of N-(5-cyano-2-pyridinyl)-N,2,2-trimethylpropanamide?
The InChIKey is YTABSAQDADJXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-12(2,3)11(16)15(4)10-6-5-9(7-13)8-14-10/h5-6,8H,1-4H3.
What are the key properties of N-(5-cyano-2-pyridinyl)-N,2,2-trimethylpropanamide?
N-(5-cyano-2-pyridinyl)-N,2,2-trimethylpropanamide has a molecular weight of 217.27 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-pyridinyl)-N,2,2-trimethylpropanamide is sourced from PubChem (CID 115268043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).