N-[cyano(pyridin-2-yl)methyl]-N-methylbutanamide

C12H15N3O — CID 82113915

IUPACN-[cyano(pyridin-2-yl)methyl]-N-methylbutanamide
SMILESCCCC(=O)N(C)C(C#N)c1ccccn1
InChIInChI=1S/C12H15N3O/c1-3-6-12(16)15(2)11(9-13)10-7-4-5-8-14-10/h4-5,7-8,11H,3,6H2,1-2H3
InChIKeyRJMZUTVJVQSHIW-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.90
Rot. Bonds4

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

N-[cyano(pyridin-2-yl)methyl]-N-methylbutanamide (PubChem CID 82113915) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-[cyano(pyridin-2-yl)methyl]-N-methylbutanamide.

Molecular Properties

Compound NameN-[cyano(pyridin-2-yl)methyl]-N-methylbutanamide
PubChem CID82113915
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-[cyano(pyridin-2-yl)methyl]-N-methylbutanamide
SMILESCCCC(=O)N(C)C(C#N)c1ccccn1
InChIInChI=1S/C12H15N3O/c1-3-6-12(16)15(2)11(9-13)10-7-4-5-8-14-10/h4-5,7-8,11H,3,6H2,1-2H3
InChIKeyRJMZUTVJVQSHIW-UHFFFAOYSA-N
XLogP1.90
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[cyano(pyridin-2-yl)methyl]-N-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[cyano(pyridin-2-yl)methyl]-N-methylcyclohexanecarboxamide
CID 82120784
N-[cyano-(4-methylphenyl)methyl]-N-methylbutanamide
CID 82115689
N-[cyano-(4-ethoxyphenyl)methyl]-N-methylbutanamide
CID 112510695
N-methyl-3-pyrazol-1-yl-N-[(1R)-1-pyridin-2-ylbutyl]propanamide
CID 95273727
2-pyridin-2-ylbutanenitrile
CID 12520509
ethyl (2S,3R)-2-amino-3-hydroxy-3-pyridin-2-ylpropanoate
CID 124510790
2-amino-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 96555130
2-[dimethylamino(pyridin-2-yl)methyl]butanenitrile
CID 116913747
4-(dimethylamino)-4-pyridin-2-ylbutan-2-one
CID 82125654
N-[cyano(pyridin-2-yl)methyl]-2,2-dimethylpropanamide
CID 82113909
4-(2-ethoxyphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide
CID 55767816
2,2-dipyridin-2-ylacetonitrile
CID 14006057

Frequently Asked Questions

What is the IUPAC name of N-[cyano(pyridin-2-yl)methyl]-N-methylbutanamide?
The IUPAC name of N-[cyano(pyridin-2-yl)methyl]-N-methylbutanamide (CID 82113915) is N-[cyano(pyridin-2-yl)methyl]-N-methylbutanamide.
What is the SMILES notation for N-[cyano(pyridin-2-yl)methyl]-N-methylbutanamide?
The canonical SMILES for N-[cyano(pyridin-2-yl)methyl]-N-methylbutanamide is CCCC(=O)N(C)C(C#N)c1ccccn1.
What is the InChIKey of N-[cyano(pyridin-2-yl)methyl]-N-methylbutanamide?
The InChIKey is RJMZUTVJVQSHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-3-6-12(16)15(2)11(9-13)10-7-4-5-8-14-10/h4-5,7-8,11H,3,6H2,1-2H3.
What are the key properties of N-[cyano(pyridin-2-yl)methyl]-N-methylbutanamide?
N-[cyano(pyridin-2-yl)methyl]-N-methylbutanamide has a molecular weight of 217.27 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(pyridin-2-yl)methyl]-N-methylbutanamide is sourced from PubChem (CID 82113915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).