N-[5-(oxiran-2-ylmethyl)-2-pyridinyl]acetamide

C10H12N2O2 — CID 19385019

IUPACN-[5-(oxiran-2-ylmethyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(CC2CO2)cn1
InChIInChI=1S/C10H12N2O2/c1-7(13)12-10-3-2-8(5-11-10)4-9-6-14-9/h2-3,5,9H,4,6H2,1H3,(H,11,12,13)
InChIKeyYYXLWCYQXRRSQG-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.98
Rot. Bonds3

About N-[5-(oxiran-2-ylmethyl)-2-pyridinyl]acetamide

N-[5-(oxiran-2-ylmethyl)-2-pyridinyl]acetamide (PubChem CID 19385019) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is N-[5-(oxiran-2-ylmethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-(oxiran-2-ylmethyl)-2-pyridinyl]acetamide
PubChem CID19385019
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC NameN-[5-(oxiran-2-ylmethyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(CC2CO2)cn1
InChIInChI=1S/C10H12N2O2/c1-7(13)12-10-3-2-8(5-11-10)4-9-6-14-9/h2-3,5,9H,4,6H2,1H3,(H,11,12,13)
InChIKeyYYXLWCYQXRRSQG-UHFFFAOYSA-N
XLogP0.98
TPSA54.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(oxiran-2-ylmethyl)-2-pyridinyl]acetamide?
The IUPAC name of N-[5-(oxiran-2-ylmethyl)-2-pyridinyl]acetamide (CID 19385019) is N-[5-(oxiran-2-ylmethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-(oxiran-2-ylmethyl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-(oxiran-2-ylmethyl)-2-pyridinyl]acetamide is CC(=O)Nc1ccc(CC2CO2)cn1.
What is the InChIKey of N-[5-(oxiran-2-ylmethyl)-2-pyridinyl]acetamide?
The InChIKey is YYXLWCYQXRRSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-7(13)12-10-3-2-8(5-11-10)4-9-6-14-9/h2-3,5,9H,4,6H2,1H3,(H,11,12,13).
What are the key properties of N-[5-(oxiran-2-ylmethyl)-2-pyridinyl]acetamide?
N-[5-(oxiran-2-ylmethyl)-2-pyridinyl]acetamide has a molecular weight of 192.22 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(oxiran-2-ylmethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 19385019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).