N-(2-cyanoethyl)-N-methyl-2-(4-oxo-1-pyridinyl)acetamide

C11H13N3O2 — CID 62880165

IUPACN-(2-cyanoethyl)-N-methyl-2-(4-oxo-1-pyridinyl)acetamide
SMILESCN(CCC#N)C(=O)Cn1ccc(=O)cc1
InChIInChI=1S/C11H13N3O2/c1-13(6-2-5-12)11(16)9-14-7-3-10(15)4-8-14/h3-4,7-8H,2,6,9H2,1H3
InChIKeyVMZMDFFOOVZYPF-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.22
Rot. Bonds4

About N-(2-cyanoethyl)-N-methyl-2-(4-oxo-1-pyridinyl)acetamide

N-(2-cyanoethyl)-N-methyl-2-(4-oxo-1-pyridinyl)acetamide (PubChem CID 62880165) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-2-(4-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-2-(4-oxo-1-pyridinyl)acetamide
PubChem CID62880165
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN-(2-cyanoethyl)-N-methyl-2-(4-oxo-1-pyridinyl)acetamide
SMILESCN(CCC#N)C(=O)Cn1ccc(=O)cc1
InChIInChI=1S/C11H13N3O2/c1-13(6-2-5-12)11(16)9-14-7-3-10(15)4-8-14/h3-4,7-8H,2,6,9H2,1H3
InChIKeyVMZMDFFOOVZYPF-UHFFFAOYSA-N
XLogP0.22
TPSA66.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-N-methyl-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
CID 55152553
1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-6-methyl-2-oxopyridine-3-carboxylic acid
CID 82099942
N-(2-cyanoethyl)-N-methyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 61225137
N-(2-cyanoethyl)-N-methyl-2-(2-phenylimidazol-1-yl)acetamide
CID 61069381
N-(2-cyanoethyl)-N-methylpropanamide
CID 21036687
N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide
CID 43289856
N-(2-cyanoethyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide
CID 61406326
N-(2-cyanoethyl)-N-methyl-3-(6-oxopyridazin-1-yl)propanamide
CID 62850678
N-(2-cyanoethyl)-2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide
CID 63271393
2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-(2-cyanoethyl)-N-methylacetamide
CID 46583611
N-(2-cyanoethyl)-N-methyl-2-(4-methylphenyl)sulfinylacetamide
CID 64691480
N-(2-cyanoethyl)-N-methyl-2-thiomorpholin-4-ylacetamide
CID 43288869

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-2-(4-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-2-(4-oxo-1-pyridinyl)acetamide (CID 62880165) is N-(2-cyanoethyl)-N-methyl-2-(4-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-2-(4-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-2-(4-oxo-1-pyridinyl)acetamide is CN(CCC#N)C(=O)Cn1ccc(=O)cc1.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-2-(4-oxo-1-pyridinyl)acetamide?
The InChIKey is VMZMDFFOOVZYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-13(6-2-5-12)11(16)9-14-7-3-10(15)4-8-14/h3-4,7-8H,2,6,9H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-2-(4-oxo-1-pyridinyl)acetamide?
N-(2-cyanoethyl)-N-methyl-2-(4-oxo-1-pyridinyl)acetamide has a molecular weight of 219.24 g/mol, XLogP of 0.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-2-(4-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 62880165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).