2-cyano-N-pyrimidin-2-ylacetamide

C7H6N4O — CID 4577017

IUPAC2-cyano-N-pyrimidin-2-ylacetamide
SMILESN#CCC(=O)Nc1ncccn1
InChIInChI=1S/C7H6N4O/c8-3-2-6(12)11-7-9-4-1-5-10-7/h1,4-5H,2H2,(H,9,10,11,12)
InChIKeyZQQDHDUYVWOSSB-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.33
Rot. Bonds2

About 2-cyano-N-pyrimidin-2-ylacetamide

2-cyano-N-pyrimidin-2-ylacetamide (PubChem CID 4577017) has the molecular formula C7H6N4O and a molecular weight of 162.15 g/mol. Its IUPAC name is 2-cyano-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-cyano-N-pyrimidin-2-ylacetamide
PubChem CID4577017
Molecular FormulaC7H6N4O
Molecular Weight162.15 g/mol
Exact Mass162.05
IUPAC Name2-cyano-N-pyrimidin-2-ylacetamide
SMILESN#CCC(=O)Nc1ncccn1
InChIInChI=1S/C7H6N4O/c8-3-2-6(12)11-7-9-4-1-5-10-7/h1,4-5H,2H2,(H,9,10,11,12)
InChIKeyZQQDHDUYVWOSSB-UHFFFAOYSA-N
XLogP0.33
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-cyano-N-pyrimidin-2-ylacetamide (CID 4577017) is 2-cyano-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-cyano-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-cyano-N-pyrimidin-2-ylacetamide is N#CCC(=O)Nc1ncccn1.
What is the InChIKey of 2-cyano-N-pyrimidin-2-ylacetamide?
The InChIKey is ZQQDHDUYVWOSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O/c8-3-2-6(12)11-7-9-4-1-5-10-7/h1,4-5H,2H2,(H,9,10,11,12).
What are the key properties of 2-cyano-N-pyrimidin-2-ylacetamide?
2-cyano-N-pyrimidin-2-ylacetamide has a molecular weight of 162.15 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 4577017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).