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

C12H15N3O2 — CID 55152553

IUPACN-(2-cyanoethyl)-N-methyl-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
SMILESCc1ccn(CC(=O)N(C)CCC#N)c(=O)c1
InChIInChI=1S/C12H15N3O2/c1-10-4-7-15(11(16)8-10)9-12(17)14(2)6-3-5-13/h4,7-8H,3,6,9H2,1-2H3
InChIKeyZOXXSQLGICRIMR-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.53
Rot. Bonds4

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

N-(2-cyanoethyl)-N-methyl-2-(4-methyl-2-oxo-1-pyridinyl)acetamide (PubChem CID 55152553) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-2-(4-methyl-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
PubChem CID55152553
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-(2-cyanoethyl)-N-methyl-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
SMILESCc1ccn(CC(=O)N(C)CCC#N)c(=O)c1
InChIInChI=1S/C12H15N3O2/c1-10-4-7-15(11(16)8-10)9-12(17)14(2)6-3-5-13/h4,7-8H,3,6,9H2,1-2H3
InChIKeyZOXXSQLGICRIMR-UHFFFAOYSA-N
XLogP0.53
TPSA66.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-2-(4-methyl-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-2-(4-methyl-2-oxo-1-pyridinyl)acetamide (CID 55152553) is N-(2-cyanoethyl)-N-methyl-2-(4-methyl-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-2-(4-methyl-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-2-(4-methyl-2-oxo-1-pyridinyl)acetamide is Cc1ccn(CC(=O)N(C)CCC#N)c(=O)c1.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-2-(4-methyl-2-oxo-1-pyridinyl)acetamide?
The InChIKey is ZOXXSQLGICRIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-10-4-7-15(11(16)8-10)9-12(17)14(2)6-3-5-13/h4,7-8H,3,6,9H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-2-(4-methyl-2-oxo-1-pyridinyl)acetamide?
N-(2-cyanoethyl)-N-methyl-2-(4-methyl-2-oxo-1-pyridinyl)acetamide has a molecular weight of 233.27 g/mol, XLogP of 0.53, 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-methyl-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 55152553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).