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

C10H12N4O — CID 146420213

IUPACN-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N'-ethylmethanimidamide
SMILESCC/N=C/Nc1cc(C#N)c(=O)[nH]c1C
InChIInChI=1S/C10H12N4O/c1-3-12-6-13-9-4-8(5-11)10(15)14-7(9)2/h4,6H,3H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyJYPIWEKXNNKVOZ-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.02
Rot. Bonds3

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

N-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N'-ethylmethanimidamide (PubChem CID 146420213) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is N-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N'-ethylmethanimidamide.

Molecular Properties

Compound NameN-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N'-ethylmethanimidamide
PubChem CID146420213
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC NameN-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N'-ethylmethanimidamide
SMILESCC/N=C/Nc1cc(C#N)c(=O)[nH]c1C
InChIInChI=1S/C10H12N4O/c1-3-12-6-13-9-4-8(5-11)10(15)14-7(9)2/h4,6H,3H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyJYPIWEKXNNKVOZ-UHFFFAOYSA-N
XLogP1.02
TPSA81.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N'-ethylmethanimidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N'-ethylmethanimidamide?
The IUPAC name of N-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N'-ethylmethanimidamide (CID 146420213) is N-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N'-ethylmethanimidamide.
What is the SMILES notation for N-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N'-ethylmethanimidamide?
The canonical SMILES for N-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N'-ethylmethanimidamide is CC/N=C/Nc1cc(C#N)c(=O)[nH]c1C.
What is the InChIKey of N-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N'-ethylmethanimidamide?
The InChIKey is JYPIWEKXNNKVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-3-12-6-13-9-4-8(5-11)10(15)14-7(9)2/h4,6H,3H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of N-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N'-ethylmethanimidamide?
N-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N'-ethylmethanimidamide has a molecular weight of 204.23 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 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'-ethylmethanimidamide is sourced from PubChem (CID 146420213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).