N-(2-cyanoethyl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide

C11H13N3O2 — CID 116621485

IUPACN-(2-cyanoethyl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
SMILESCc1cccn(CC(=O)NCCC#N)c1=O
InChIInChI=1S/C11H13N3O2/c1-9-4-2-7-14(11(9)16)8-10(15)13-6-3-5-12/h2,4,7H,3,6,8H2,1H3,(H,13,15)
InChIKeySMXPJGZKMKOSFX-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.19
Rot. Bonds4

About N-(2-cyanoethyl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide

N-(2-cyanoethyl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide (PubChem CID 116621485) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
PubChem CID116621485
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN-(2-cyanoethyl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
SMILESCc1cccn(CC(=O)NCCC#N)c1=O
InChIInChI=1S/C11H13N3O2/c1-9-4-2-7-14(11(9)16)8-10(15)13-6-3-5-12/h2,4,7H,3,6,8H2,1H3,(H,13,15)
InChIKeySMXPJGZKMKOSFX-UHFFFAOYSA-N
XLogP0.19
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide (CID 116621485) is N-(2-cyanoethyl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide is Cc1cccn(CC(=O)NCCC#N)c1=O.
What is the InChIKey of N-(2-cyanoethyl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide?
The InChIKey is SMXPJGZKMKOSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-9-4-2-7-14(11(9)16)8-10(15)13-6-3-5-12/h2,4,7H,3,6,8H2,1H3,(H,13,15).
What are the key properties of N-(2-cyanoethyl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide?
N-(2-cyanoethyl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide has a molecular weight of 219.24 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 116621485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).