N-(6-cyano-3-pyridinyl)-2-methoxyacetamide

C9H9N3O2 — CID 44574290

IUPACN-(6-cyano-3-pyridinyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(C#N)nc1
InChIInChI=1S/C9H9N3O2/c1-14-6-9(13)12-8-3-2-7(4-10)11-5-8/h2-3,5H,6H2,1H3,(H,12,13)
InChIKeyCPDBXLHSQIXDNZ-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.54
Rot. Bonds3

About N-(6-cyano-3-pyridinyl)-2-methoxyacetamide

N-(6-cyano-3-pyridinyl)-2-methoxyacetamide (PubChem CID 44574290) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is N-(6-cyano-3-pyridinyl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(6-cyano-3-pyridinyl)-2-methoxyacetamide
PubChem CID44574290
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC NameN-(6-cyano-3-pyridinyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(C#N)nc1
InChIInChI=1S/C9H9N3O2/c1-14-6-9(13)12-8-3-2-7(4-10)11-5-8/h2-3,5H,6H2,1H3,(H,12,13)
InChIKeyCPDBXLHSQIXDNZ-UHFFFAOYSA-N
XLogP0.54
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-cyano-3-pyridinyl)-2-methoxyacetamide?
The IUPAC name of N-(6-cyano-3-pyridinyl)-2-methoxyacetamide (CID 44574290) is N-(6-cyano-3-pyridinyl)-2-methoxyacetamide.
What is the SMILES notation for N-(6-cyano-3-pyridinyl)-2-methoxyacetamide?
The canonical SMILES for N-(6-cyano-3-pyridinyl)-2-methoxyacetamide is COCC(=O)Nc1ccc(C#N)nc1.
What is the InChIKey of N-(6-cyano-3-pyridinyl)-2-methoxyacetamide?
The InChIKey is CPDBXLHSQIXDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-14-6-9(13)12-8-3-2-7(4-10)11-5-8/h2-3,5H,6H2,1H3,(H,12,13).
What are the key properties of N-(6-cyano-3-pyridinyl)-2-methoxyacetamide?
N-(6-cyano-3-pyridinyl)-2-methoxyacetamide has a molecular weight of 191.19 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyano-3-pyridinyl)-2-methoxyacetamide is sourced from PubChem (CID 44574290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).