N'-ethyl-N-(5-ethynyl-2-methyl-6-oxo-1H-pyridin-3-yl)methanimidamide

C11H13N3O — CID 145294566

IUPACN'-ethyl-N-(5-ethynyl-2-methyl-6-oxo-1H-pyridin-3-yl)methanimidamide
SMILESC#Cc1cc(N/C=N/CC)c(C)[nH]c1=O
InChIInChI=1S/C11H13N3O/c1-4-9-6-10(13-7-12-5-2)8(3)14-11(9)15/h1,6-7H,5H2,2-3H3,(H,12,13)(H,14,15)
InChIKeyOUPAJRUGXLLMSV-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.12
Rot. Bonds3

About N'-ethyl-N-(5-ethynyl-2-methyl-6-oxo-1H-pyridin-3-yl)methanimidamide

N'-ethyl-N-(5-ethynyl-2-methyl-6-oxo-1H-pyridin-3-yl)methanimidamide (PubChem CID 145294566) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is N'-ethyl-N-(5-ethynyl-2-methyl-6-oxo-1H-pyridin-3-yl)methanimidamide.

Molecular Properties

Compound NameN'-ethyl-N-(5-ethynyl-2-methyl-6-oxo-1H-pyridin-3-yl)methanimidamide
PubChem CID145294566
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC NameN'-ethyl-N-(5-ethynyl-2-methyl-6-oxo-1H-pyridin-3-yl)methanimidamide
SMILESC#Cc1cc(N/C=N/CC)c(C)[nH]c1=O
InChIInChI=1S/C11H13N3O/c1-4-9-6-10(13-7-12-5-2)8(3)14-11(9)15/h1,6-7H,5H2,2-3H3,(H,12,13)(H,14,15)
InChIKeyOUPAJRUGXLLMSV-UHFFFAOYSA-N
XLogP1.12
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(5-ethynyl-2-methyl-6-oxo-1H-pyridin-3-yl)methanimidamide?
The IUPAC name of N'-ethyl-N-(5-ethynyl-2-methyl-6-oxo-1H-pyridin-3-yl)methanimidamide (CID 145294566) is N'-ethyl-N-(5-ethynyl-2-methyl-6-oxo-1H-pyridin-3-yl)methanimidamide.
What is the SMILES notation for N'-ethyl-N-(5-ethynyl-2-methyl-6-oxo-1H-pyridin-3-yl)methanimidamide?
The canonical SMILES for N'-ethyl-N-(5-ethynyl-2-methyl-6-oxo-1H-pyridin-3-yl)methanimidamide is C#Cc1cc(N/C=N/CC)c(C)[nH]c1=O.
What is the InChIKey of N'-ethyl-N-(5-ethynyl-2-methyl-6-oxo-1H-pyridin-3-yl)methanimidamide?
The InChIKey is OUPAJRUGXLLMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-4-9-6-10(13-7-12-5-2)8(3)14-11(9)15/h1,6-7H,5H2,2-3H3,(H,12,13)(H,14,15).
What are the key properties of N'-ethyl-N-(5-ethynyl-2-methyl-6-oxo-1H-pyridin-3-yl)methanimidamide?
N'-ethyl-N-(5-ethynyl-2-methyl-6-oxo-1H-pyridin-3-yl)methanimidamide has a molecular weight of 203.24 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(5-ethynyl-2-methyl-6-oxo-1H-pyridin-3-yl)methanimidamide is sourced from PubChem (CID 145294566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).