N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-5-methylpyridine-3-carboxamide

C11H16N4O2 — CID 77072803

IUPACN-(2-amino-2-hydroxyiminoethyl)-N-ethyl-5-methylpyridine-3-carboxamide
SMILESCCN(CC(N)=NO)C(=O)c1cncc(C)c1
InChIInChI=1S/C11H16N4O2/c1-3-15(7-10(12)14-17)11(16)9-4-8(2)5-13-6-9/h4-6,17H,3,7H2,1-2H3,(H2,12,14)
InChIKeyLAWPFMFXVUXNNN-UHFFFAOYSA-N
MW236.28 g/mol
LogP0.60
Rot. Bonds4

About N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-5-methylpyridine-3-carboxamide

N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-5-methylpyridine-3-carboxamide (PubChem CID 77072803) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-N-ethyl-5-methylpyridine-3-carboxamide
PubChem CID77072803
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-N-ethyl-5-methylpyridine-3-carboxamide
SMILESCCN(CC(N)=NO)C(=O)c1cncc(C)c1
InChIInChI=1S/C11H16N4O2/c1-3-15(7-10(12)14-17)11(16)9-4-8(2)5-13-6-9/h4-6,17H,3,7H2,1-2H3,(H2,12,14)
InChIKeyLAWPFMFXVUXNNN-UHFFFAOYSA-N
XLogP0.60
TPSA91.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-4-hydroxyiminobutan-2-yl)-N,5-dimethylpyridine-3-carboxamide
CID 77072544
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-6-methylpyridine-3-carboxamide
CID 76929152
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-ethyl-1,5-dimethylpyrazole-3-carboxamide
CID 114219118
N-(2-amino-2-hydroxyiminoethyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide
CID 77113193
N-(2-amino-2-hydroxyiminoethyl)-N-ethylnaphthalene-2-carboxamide
CID 76929403
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-3-iodobenzamide
CID 76929197
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-5-iodothiophene-3-carboxamide
CID 79683911
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-1,3-benzodioxole-5-carboxamide
CID 76929458
ethyl 2-[(5-bromopyridine-3-carbonyl)-ethylamino]acetate
CID 54949215
N-(2-amino-2-hydroxyiminoethyl)-N-ethylquinoline-6-carboxamide
CID 76951107
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,5-dimethylpyridine-3-carboxamide
CID 77072776
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-ethyl-4-fluoro-3-methoxybenzamide
CID 81284884

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-5-methylpyridine-3-carboxamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-5-methylpyridine-3-carboxamide (CID 77072803) is N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-5-methylpyridine-3-carboxamide is CCN(CC(N)=NO)C(=O)c1cncc(C)c1.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-5-methylpyridine-3-carboxamide?
The InChIKey is LAWPFMFXVUXNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-3-15(7-10(12)14-17)11(16)9-4-8(2)5-13-6-9/h4-6,17H,3,7H2,1-2H3,(H2,12,14).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-5-methylpyridine-3-carboxamide?
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-5-methylpyridine-3-carboxamide has a molecular weight of 236.28 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 77072803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).