N'-methyl-2-pyridin-3-ylethanimidamide

C8H11N3 — CID 11029995

IUPACN'-methyl-2-pyridin-3-ylethanimidamide
SMILESC/N=C(\N)Cc1cccnc1
InChIInChI=1S/C8H11N3/c1-10-8(9)5-7-3-2-4-11-6-7/h2-4,6H,5H2,1H3,(H2,9,10)
InChIKeyVWNGXAWNFGLGPP-UHFFFAOYSA-N
MW149.20 g/mol
LogP0.61
Rot. Bonds2

About N'-methyl-2-pyridin-3-ylethanimidamide

N'-methyl-2-pyridin-3-ylethanimidamide (PubChem CID 11029995) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is N'-methyl-2-pyridin-3-ylethanimidamide.

Molecular Properties

Compound NameN'-methyl-2-pyridin-3-ylethanimidamide
PubChem CID11029995
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC NameN'-methyl-2-pyridin-3-ylethanimidamide
SMILESC/N=C(\N)Cc1cccnc1
InChIInChI=1S/C8H11N3/c1-10-8(9)5-7-3-2-4-11-6-7/h2-4,6H,5H2,1H3,(H2,9,10)
InChIKeyVWNGXAWNFGLGPP-UHFFFAOYSA-N
XLogP0.61
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 50.61
H-Bond Donors ≤ 51
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 N'-methyl-2-pyridin-3-ylethanimidamide?
The IUPAC name of N'-methyl-2-pyridin-3-ylethanimidamide (CID 11029995) is N'-methyl-2-pyridin-3-ylethanimidamide.
What is the SMILES notation for N'-methyl-2-pyridin-3-ylethanimidamide?
The canonical SMILES for N'-methyl-2-pyridin-3-ylethanimidamide is C/N=C(\N)Cc1cccnc1.
What is the InChIKey of N'-methyl-2-pyridin-3-ylethanimidamide?
The InChIKey is VWNGXAWNFGLGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-10-8(9)5-7-3-2-4-11-6-7/h2-4,6H,5H2,1H3,(H2,9,10).
What are the key properties of N'-methyl-2-pyridin-3-ylethanimidamide?
N'-methyl-2-pyridin-3-ylethanimidamide has a molecular weight of 149.20 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-pyridin-3-ylethanimidamide is sourced from PubChem (CID 11029995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).