N',5-dimethoxypyridine-2-carboximidamide

C8H11N3O2 — CID 123379844

IUPACN',5-dimethoxypyridine-2-carboximidamide
SMILESCON=C(N)c1ccc(OC)cn1
InChIInChI=1S/C8H11N3O2/c1-12-6-3-4-7(10-5-6)8(9)11-13-2/h3-5H,1-2H3,(H2,9,11)
InChIKeyKXXGCDXKSRPNGD-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.36
Rot. Bonds3

About N',5-dimethoxypyridine-2-carboximidamide

N',5-dimethoxypyridine-2-carboximidamide (PubChem CID 123379844) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is N',5-dimethoxypyridine-2-carboximidamide.

Molecular Properties

Compound NameN',5-dimethoxypyridine-2-carboximidamide
PubChem CID123379844
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC NameN',5-dimethoxypyridine-2-carboximidamide
SMILESCON=C(N)c1ccc(OC)cn1
InChIInChI=1S/C8H11N3O2/c1-12-6-3-4-7(10-5-6)8(9)11-13-2/h3-5H,1-2H3,(H2,9,11)
InChIKeyKXXGCDXKSRPNGD-UHFFFAOYSA-N
XLogP0.36
TPSA69.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',5-dimethoxypyridine-2-carboximidamide?
The IUPAC name of N',5-dimethoxypyridine-2-carboximidamide (CID 123379844) is N',5-dimethoxypyridine-2-carboximidamide.
What is the SMILES notation for N',5-dimethoxypyridine-2-carboximidamide?
The canonical SMILES for N',5-dimethoxypyridine-2-carboximidamide is CON=C(N)c1ccc(OC)cn1.
What is the InChIKey of N',5-dimethoxypyridine-2-carboximidamide?
The InChIKey is KXXGCDXKSRPNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-12-6-3-4-7(10-5-6)8(9)11-13-2/h3-5H,1-2H3,(H2,9,11).
What are the key properties of N',5-dimethoxypyridine-2-carboximidamide?
N',5-dimethoxypyridine-2-carboximidamide has a molecular weight of 181.19 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',5-dimethoxypyridine-2-carboximidamide is sourced from PubChem (CID 123379844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).