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

C11H14N4O — CID 121318687

IUPACN'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C#N)c(=O)[nH]c1C
InChIInChI=1S/C11H14N4O/c1-4-15(3)7-13-10-5-9(6-12)11(16)14-8(10)2/h5,7H,4H2,1-3H3,(H,14,16)/b13-7+
InChIKeyHGFCCUQAQCWQRI-NTUHNPAUSA-N
MW218.26 g/mol
LogP1.17
Rot. Bonds3

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

N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide (PubChem CID 121318687) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide
PubChem CID121318687
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC NameN'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C#N)c(=O)[nH]c1C
InChIInChI=1S/C11H14N4O/c1-4-15(3)7-13-10-5-9(6-12)11(16)14-8(10)2/h5,7H,4H2,1-3H3,(H,14,16)/b13-7+
InChIKeyHGFCCUQAQCWQRI-NTUHNPAUSA-N
XLogP1.17
TPSA72.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide (CID 121318687) is N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C#N)c(=O)[nH]c1C.
What is the InChIKey of N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide?
The InChIKey is HGFCCUQAQCWQRI-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H14N4O/c1-4-15(3)7-13-10-5-9(6-12)11(16)14-8(10)2/h5,7H,4H2,1-3H3,(H,14,16)/b13-7+.
What are the key properties of N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide?
N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide has a molecular weight of 218.26 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 121318687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).