2-(4-methyl-3-pyridinyl)ethanimidamide

C8H11N3 — CID 83676274

IUPAC2-(4-methyl-3-pyridinyl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cnccc1C
InChIInChI=1S/C8H11N3/c1-6-2-3-11-5-7(6)4-8(9)10/h2-3,5H,4H2,1H3,(H3,9,10)
InChIKeySJVKWFHBWKPRDL-UHFFFAOYSA-N
MW149.20 g/mol
LogP0.87
Rot. Bonds2

About 2-(4-methyl-3-pyridinyl)ethanimidamide

2-(4-methyl-3-pyridinyl)ethanimidamide (PubChem CID 83676274) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 2-(4-methyl-3-pyridinyl)ethanimidamide.

Molecular Properties

Compound Name2-(4-methyl-3-pyridinyl)ethanimidamide
PubChem CID83676274
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name2-(4-methyl-3-pyridinyl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cnccc1C
InChIInChI=1S/C8H11N3/c1-6-2-3-11-5-7(6)4-8(9)10/h2-3,5H,4H2,1H3,(H3,9,10)
InChIKeySJVKWFHBWKPRDL-UHFFFAOYSA-N
XLogP0.87
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 50.87
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-pyridinyl)ethanimidamide?
The IUPAC name of 2-(4-methyl-3-pyridinyl)ethanimidamide (CID 83676274) is 2-(4-methyl-3-pyridinyl)ethanimidamide.
What is the SMILES notation for 2-(4-methyl-3-pyridinyl)ethanimidamide?
The canonical SMILES for 2-(4-methyl-3-pyridinyl)ethanimidamide is [H]/N=C(\N)Cc1cnccc1C.
What is the InChIKey of 2-(4-methyl-3-pyridinyl)ethanimidamide?
The InChIKey is SJVKWFHBWKPRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-6-2-3-11-5-7(6)4-8(9)10/h2-3,5H,4H2,1H3,(H3,9,10).
What are the key properties of 2-(4-methyl-3-pyridinyl)ethanimidamide?
2-(4-methyl-3-pyridinyl)ethanimidamide has a molecular weight of 149.20 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3-pyridinyl)ethanimidamide is sourced from PubChem (CID 83676274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).