N-[6-methyl-5-(oxetan-3-yl)-3-pyridinyl]-2-oxoacetamide

C11H12N2O3 — CID 175708010

IUPACN-[6-methyl-5-(oxetan-3-yl)-3-pyridinyl]-2-oxoacetamide
SMILESCc1ncc(NC(=O)C=O)cc1C1COC1
InChIInChI=1S/C11H12N2O3/c1-7-10(8-5-16-6-8)2-9(3-12-7)13-11(15)4-14/h2-4,8H,5-6H2,1H3,(H,13,15)
InChIKeyAVJFOURDJWRAJD-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.64
Rot. Bonds3

About N-[6-methyl-5-(oxetan-3-yl)-3-pyridinyl]-2-oxoacetamide

N-[6-methyl-5-(oxetan-3-yl)-3-pyridinyl]-2-oxoacetamide (PubChem CID 175708010) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-[6-methyl-5-(oxetan-3-yl)-3-pyridinyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[6-methyl-5-(oxetan-3-yl)-3-pyridinyl]-2-oxoacetamide
PubChem CID175708010
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC NameN-[6-methyl-5-(oxetan-3-yl)-3-pyridinyl]-2-oxoacetamide
SMILESCc1ncc(NC(=O)C=O)cc1C1COC1
InChIInChI=1S/C11H12N2O3/c1-7-10(8-5-16-6-8)2-9(3-12-7)13-11(15)4-14/h2-4,8H,5-6H2,1H3,(H,13,15)
InChIKeyAVJFOURDJWRAJD-UHFFFAOYSA-N
XLogP0.64
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-5-(oxetan-3-yl)-3-pyridinyl]-2-oxoacetamide?
The IUPAC name of N-[6-methyl-5-(oxetan-3-yl)-3-pyridinyl]-2-oxoacetamide (CID 175708010) is N-[6-methyl-5-(oxetan-3-yl)-3-pyridinyl]-2-oxoacetamide.
What is the SMILES notation for N-[6-methyl-5-(oxetan-3-yl)-3-pyridinyl]-2-oxoacetamide?
The canonical SMILES for N-[6-methyl-5-(oxetan-3-yl)-3-pyridinyl]-2-oxoacetamide is Cc1ncc(NC(=O)C=O)cc1C1COC1.
What is the InChIKey of N-[6-methyl-5-(oxetan-3-yl)-3-pyridinyl]-2-oxoacetamide?
The InChIKey is AVJFOURDJWRAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-7-10(8-5-16-6-8)2-9(3-12-7)13-11(15)4-14/h2-4,8H,5-6H2,1H3,(H,13,15).
What are the key properties of N-[6-methyl-5-(oxetan-3-yl)-3-pyridinyl]-2-oxoacetamide?
N-[6-methyl-5-(oxetan-3-yl)-3-pyridinyl]-2-oxoacetamide has a molecular weight of 220.23 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-5-(oxetan-3-yl)-3-pyridinyl]-2-oxoacetamide is sourced from PubChem (CID 175708010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).