2-(3-cyano-2-oxo-6-propan-2-yl-1-pyridinyl)-N-(2-methoxyethyl)acetamide

C14H19N3O3 — CID 82099535

IUPAC2-(3-cyano-2-oxo-6-propan-2-yl-1-pyridinyl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1c(C(C)C)ccc(C#N)c1=O
InChIInChI=1S/C14H19N3O3/c1-10(2)12-5-4-11(8-15)14(19)17(12)9-13(18)16-6-7-20-3/h4-5,10H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyLHVAPUFFEUWWSA-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.61
Rot. Bonds6

About 2-(3-cyano-2-oxo-6-propan-2-yl-1-pyridinyl)-N-(2-methoxyethyl)acetamide

2-(3-cyano-2-oxo-6-propan-2-yl-1-pyridinyl)-N-(2-methoxyethyl)acetamide (PubChem CID 82099535) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(3-cyano-2-oxo-6-propan-2-yl-1-pyridinyl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-2-oxo-6-propan-2-yl-1-pyridinyl)-N-(2-methoxyethyl)acetamide
PubChem CID82099535
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-(3-cyano-2-oxo-6-propan-2-yl-1-pyridinyl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1c(C(C)C)ccc(C#N)c1=O
InChIInChI=1S/C14H19N3O3/c1-10(2)12-5-4-11(8-15)14(19)17(12)9-13(18)16-6-7-20-3/h4-5,10H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyLHVAPUFFEUWWSA-UHFFFAOYSA-N
XLogP0.61
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-(3-cyano-2-oxo-6-propan-2-yl-1-pyridinyl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(3-cyano-2-oxo-6-propan-2-yl-1-pyridinyl)-N-(2-methoxyethyl)acetamide (CID 82099535) is 2-(3-cyano-2-oxo-6-propan-2-yl-1-pyridinyl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(3-cyano-2-oxo-6-propan-2-yl-1-pyridinyl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(3-cyano-2-oxo-6-propan-2-yl-1-pyridinyl)-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cn1c(C(C)C)ccc(C#N)c1=O.
What is the InChIKey of 2-(3-cyano-2-oxo-6-propan-2-yl-1-pyridinyl)-N-(2-methoxyethyl)acetamide?
The InChIKey is LHVAPUFFEUWWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10(2)12-5-4-11(8-15)14(19)17(12)9-13(18)16-6-7-20-3/h4-5,10H,6-7,9H2,1-3H3,(H,16,18).
What are the key properties of 2-(3-cyano-2-oxo-6-propan-2-yl-1-pyridinyl)-N-(2-methoxyethyl)acetamide?
2-(3-cyano-2-oxo-6-propan-2-yl-1-pyridinyl)-N-(2-methoxyethyl)acetamide has a molecular weight of 277.32 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-2-oxo-6-propan-2-yl-1-pyridinyl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 82099535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).