ethyl-[[(5-ethynyl-2-methyl-6-oxo-1H-pyridin-3-yl)-methylamino]methylidene]-methylazanium

C13H18N3O+ — CID 123260415

IUPACethyl-[[(5-ethynyl-2-methyl-6-oxo-1H-pyridin-3-yl)-methylamino]methylidene]-methylazanium
SMILESC#Cc1cc(N(C)/C=[N+](\C)CC)c(C)[nH]c1=O
InChIInChI=1S/C13H17N3O/c1-6-11-8-12(10(3)14-13(11)17)16(5)9-15(4)7-2/h1,8-9H,7H2,2-5H3/p+1
InChIKeyGVCPFOIKRFEPIQ-UHFFFAOYSA-O
MW232.31 g/mol
LogP0.79
Rot. Bonds3

About ethyl-[[(5-ethynyl-2-methyl-6-oxo-1H-pyridin-3-yl)-methylamino]methylidene]-methylazanium

ethyl-[[(5-ethynyl-2-methyl-6-oxo-1H-pyridin-3-yl)-methylamino]methylidene]-methylazanium (PubChem CID 123260415) has the molecular formula C13H18N3O+ and a molecular weight of 232.31 g/mol. Its IUPAC name is ethyl-[[(5-ethynyl-2-methyl-6-oxo-1H-pyridin-3-yl)-methylamino]methylidene]-methylazanium.

Molecular Properties

Compound Nameethyl-[[(5-ethynyl-2-methyl-6-oxo-1H-pyridin-3-yl)-methylamino]methylidene]-methylazanium
PubChem CID123260415
Molecular FormulaC13H18N3O+
Molecular Weight232.31 g/mol
Exact Mass232.14
IUPAC Nameethyl-[[(5-ethynyl-2-methyl-6-oxo-1H-pyridin-3-yl)-methylamino]methylidene]-methylazanium
SMILESC#Cc1cc(N(C)/C=[N+](\C)CC)c(C)[nH]c1=O
InChIInChI=1S/C13H17N3O/c1-6-11-8-12(10(3)14-13(11)17)16(5)9-15(4)7-2/h1,8-9H,7H2,2-5H3/p+1
InChIKeyGVCPFOIKRFEPIQ-UHFFFAOYSA-O
XLogP0.79
TPSA39.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze ethyl-[[(5-ethynyl-2-methyl-6-oxo-1H-pyridin-3-yl)-methylamino]methylidene]-methylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[5-(difluoromethyl)-2-methyl-6-oxo-1H-pyridin-3-yl]-N-ethyl-N-methylmethanimidamide
CID 117694995
N-ethyl-N'-(5-ethynyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-methylmethanimidamide
CID 117694956
N'-(2,5-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide
CID 117694976
N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide
CID 121318687
N'-ethyl-N-(5-ethynyl-2-methyl-6-oxo-1H-pyridin-3-yl)methanimidamide
CID 145294566

Frequently Asked Questions

What is the IUPAC name of ethyl-[[(5-ethynyl-2-methyl-6-oxo-1H-pyridin-3-yl)-methylamino]methylidene]-methylazanium?
The IUPAC name of ethyl-[[(5-ethynyl-2-methyl-6-oxo-1H-pyridin-3-yl)-methylamino]methylidene]-methylazanium (CID 123260415) is ethyl-[[(5-ethynyl-2-methyl-6-oxo-1H-pyridin-3-yl)-methylamino]methylidene]-methylazanium.
What is the SMILES notation for ethyl-[[(5-ethynyl-2-methyl-6-oxo-1H-pyridin-3-yl)-methylamino]methylidene]-methylazanium?
The canonical SMILES for ethyl-[[(5-ethynyl-2-methyl-6-oxo-1H-pyridin-3-yl)-methylamino]methylidene]-methylazanium is C#Cc1cc(N(C)/C=[N+](\C)CC)c(C)[nH]c1=O.
What is the InChIKey of ethyl-[[(5-ethynyl-2-methyl-6-oxo-1H-pyridin-3-yl)-methylamino]methylidene]-methylazanium?
The InChIKey is GVCPFOIKRFEPIQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H17N3O/c1-6-11-8-12(10(3)14-13(11)17)16(5)9-15(4)7-2/h1,8-9H,7H2,2-5H3/p+1.
What are the key properties of ethyl-[[(5-ethynyl-2-methyl-6-oxo-1H-pyridin-3-yl)-methylamino]methylidene]-methylazanium?
ethyl-[[(5-ethynyl-2-methyl-6-oxo-1H-pyridin-3-yl)-methylamino]methylidene]-methylazanium has a molecular weight of 232.31 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[[(5-ethynyl-2-methyl-6-oxo-1H-pyridin-3-yl)-methylamino]methylidene]-methylazanium is sourced from PubChem (CID 123260415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).