4-(aminooxymethyl)-N-methylpyridine-2-carboxamide

C8H11N3O2 — CID 142264154

IUPAC4-(aminooxymethyl)-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(CON)ccn1
InChIInChI=1S/C8H11N3O2/c1-10-8(12)7-4-6(5-13-9)2-3-11-7/h2-4H,5,9H2,1H3,(H,10,12)
InChIKeyXOIJFFPKFXGGEL-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.17
Rot. Bonds3

About 4-(aminooxymethyl)-N-methylpyridine-2-carboxamide

4-(aminooxymethyl)-N-methylpyridine-2-carboxamide (PubChem CID 142264154) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 4-(aminooxymethyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(aminooxymethyl)-N-methylpyridine-2-carboxamide
PubChem CID142264154
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name4-(aminooxymethyl)-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(CON)ccn1
InChIInChI=1S/C8H11N3O2/c1-10-8(12)7-4-6(5-13-9)2-3-11-7/h2-4H,5,9H2,1H3,(H,10,12)
InChIKeyXOIJFFPKFXGGEL-UHFFFAOYSA-N
XLogP-0.17
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 ≤ 5-0.17
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-(aminooxymethyl)-2-pyridinyl]acetamide
CID 45119420
4-[(4-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 66612711
4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 43517715
4-(2,2-dimethylhydrazinyl)-N-methylpyridine-2-carboxamide
CID 83025450
4-[(4-aminophenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 60874908
N-methyl-4-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 129189538
4-[3-(2-aminoethyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 59685040
2-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]acetic acid
CID 61395400
4-[3-(aminomethyl)anilino]-N-methylpyridine-2-carboxamide
CID 55241023
1-[4-(2-methoxyethoxymethyl)-2-pyridinyl]ethanone
CID 155235183
4-(4-hydroxyanilino)-N-methylpyridine-2-carboxamide
CID 25128735
4-[(6-chloro-3,5-dicyano-4-phenyl-2-pyridinyl)oxymethyl]-N-methylpyridine-2-carboxamide
CID 87513274

Frequently Asked Questions

What is the IUPAC name of 4-(aminooxymethyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-(aminooxymethyl)-N-methylpyridine-2-carboxamide (CID 142264154) is 4-(aminooxymethyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-(aminooxymethyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-(aminooxymethyl)-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(CON)ccn1.
What is the InChIKey of 4-(aminooxymethyl)-N-methylpyridine-2-carboxamide?
The InChIKey is XOIJFFPKFXGGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-10-8(12)7-4-6(5-13-9)2-3-11-7/h2-4H,5,9H2,1H3,(H,10,12).
What are the key properties of 4-(aminooxymethyl)-N-methylpyridine-2-carboxamide?
4-(aminooxymethyl)-N-methylpyridine-2-carboxamide has a molecular weight of 181.19 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminooxymethyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 142264154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).