N-[4-(aminooxymethyl)-2-pyridinyl]acetamide

C8H11N3O2 — CID 45119420

IUPACN-[4-(aminooxymethyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(CON)ccn1
InChIInChI=1S/C8H11N3O2/c1-6(12)11-8-4-7(5-13-9)2-3-10-8/h2-4H,5,9H2,1H3,(H,10,11,12)
InChIKeyNQQOJWATPCUCHS-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.43
Rot. Bonds3

About N-[4-(aminooxymethyl)-2-pyridinyl]acetamide

N-[4-(aminooxymethyl)-2-pyridinyl]acetamide (PubChem CID 45119420) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is N-[4-(aminooxymethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-(aminooxymethyl)-2-pyridinyl]acetamide
PubChem CID45119420
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC NameN-[4-(aminooxymethyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(CON)ccn1
InChIInChI=1S/C8H11N3O2/c1-6(12)11-8-4-7(5-13-9)2-3-10-8/h2-4H,5,9H2,1H3,(H,10,11,12)
InChIKeyNQQOJWATPCUCHS-UHFFFAOYSA-N
XLogP0.43
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(methoxymethyl)-2-pyridinyl]acetamide
CID 59578573
4-(aminooxymethyl)-N-methylpyridine-2-carboxamide
CID 142264154
[4-(aminomethyl)-2-pyridinyl]carbamic acid
CID 154255839
tert-butyl N-[4-[(2-acetamido-4-pyridinyl)methoxy]-2-fluorophenyl]carbamate
CID 166647339
N-[4-(hydroxymethyl)-2-pyridinyl]-2-methoxyacetamide
CID 82343554
2-[(2-acetamido-4-pyridinyl)methyl]pyridine-3-carbothioic S-acid
CID 87232004
N-[4-(2-methylbutan-2-yl)-2-pyridinyl]acetamide
CID 138525024
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]ethyl acetate
CID 139349598
N-(4-propyl-2-pyridinyl)prop-2-enamide
CID 176981976
ethane;N-(4-propan-2-yl-2-pyridinyl)acetamide
CID 166478148
(2-acetamido-4-pyridinyl)methyl acetate;N-(1-hydroxy-4-methylpyridin-1-ium-2-yl)acetamide;N-[4-(hydroxymethyl)-2-pyridinyl]acetamide;4-methylpyridin-2-amine;N-(4-methyl-2-pyridinyl)acetamide
CID 158733873
N-(4-ethyl-2-pyridinyl)cyclopropanecarboxamide
CID 89291693

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminooxymethyl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-(aminooxymethyl)-2-pyridinyl]acetamide (CID 45119420) is N-[4-(aminooxymethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-(aminooxymethyl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-(aminooxymethyl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(CON)ccn1.
What is the InChIKey of N-[4-(aminooxymethyl)-2-pyridinyl]acetamide?
The InChIKey is NQQOJWATPCUCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-6(12)11-8-4-7(5-13-9)2-3-10-8/h2-4H,5,9H2,1H3,(H,10,11,12).
What are the key properties of N-[4-(aminooxymethyl)-2-pyridinyl]acetamide?
N-[4-(aminooxymethyl)-2-pyridinyl]acetamide has a molecular weight of 181.19 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminooxymethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 45119420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).