N-[2-(2-cyanoethyl)-4-pyridinyl]-2-methoxyacetamide

C11H13N3O2 — CID 167435126

IUPACN-[2-(2-cyanoethyl)-4-pyridinyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccnc(CCC#N)c1
InChIInChI=1S/C11H13N3O2/c1-16-8-11(15)14-10-4-6-13-9(7-10)3-2-5-12/h4,6-7H,2-3,8H2,1H3,(H,13,14,15)
InChIKeyZWWNNYGKSNAZPJ-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.12
Rot. Bonds5

About N-[2-(2-cyanoethyl)-4-pyridinyl]-2-methoxyacetamide

N-[2-(2-cyanoethyl)-4-pyridinyl]-2-methoxyacetamide (PubChem CID 167435126) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-[2-(2-cyanoethyl)-4-pyridinyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-(2-cyanoethyl)-4-pyridinyl]-2-methoxyacetamide
PubChem CID167435126
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN-[2-(2-cyanoethyl)-4-pyridinyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccnc(CCC#N)c1
InChIInChI=1S/C11H13N3O2/c1-16-8-11(15)14-10-4-6-13-9(7-10)3-2-5-12/h4,6-7H,2-3,8H2,1H3,(H,13,14,15)
InChIKeyZWWNNYGKSNAZPJ-UHFFFAOYSA-N
XLogP1.12
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyanoethyl)-4-pyridinyl]-2-methoxyacetamide?
The IUPAC name of N-[2-(2-cyanoethyl)-4-pyridinyl]-2-methoxyacetamide (CID 167435126) is N-[2-(2-cyanoethyl)-4-pyridinyl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-(2-cyanoethyl)-4-pyridinyl]-2-methoxyacetamide?
The canonical SMILES for N-[2-(2-cyanoethyl)-4-pyridinyl]-2-methoxyacetamide is COCC(=O)Nc1ccnc(CCC#N)c1.
What is the InChIKey of N-[2-(2-cyanoethyl)-4-pyridinyl]-2-methoxyacetamide?
The InChIKey is ZWWNNYGKSNAZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-16-8-11(15)14-10-4-6-13-9(7-10)3-2-5-12/h4,6-7H,2-3,8H2,1H3,(H,13,14,15).
What are the key properties of N-[2-(2-cyanoethyl)-4-pyridinyl]-2-methoxyacetamide?
N-[2-(2-cyanoethyl)-4-pyridinyl]-2-methoxyacetamide has a molecular weight of 219.24 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyanoethyl)-4-pyridinyl]-2-methoxyacetamide is sourced from PubChem (CID 167435126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).