carbamimidoyl 6-cyclopropyloxypyridine-3-carboximidate

C10H12N4O2 — CID 177243789

IUPACcarbamimidoyl 6-cyclopropyloxypyridine-3-carboximidate
SMILES[H]/N=C(\O/C(N)=N/[H])c1ccc(OC2CC2)nc1
InChIInChI=1S/C10H12N4O2/c11-9(16-10(12)13)6-1-4-8(14-5-6)15-7-2-3-7/h1,4-5,7,11H,2-3H2,(H3,12,13)/b11-9-
InChIKeyJQMLKWDICPYEPM-LUAWRHEFSA-N
MW220.23 g/mol
LogP0.86
Rot. Bonds3

About carbamimidoyl 6-cyclopropyloxypyridine-3-carboximidate

carbamimidoyl 6-cyclopropyloxypyridine-3-carboximidate (PubChem CID 177243789) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is carbamimidoyl 6-cyclopropyloxypyridine-3-carboximidate.

Molecular Properties

Compound Namecarbamimidoyl 6-cyclopropyloxypyridine-3-carboximidate
PubChem CID177243789
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Namecarbamimidoyl 6-cyclopropyloxypyridine-3-carboximidate
SMILES[H]/N=C(\O/C(N)=N/[H])c1ccc(OC2CC2)nc1
InChIInChI=1S/C10H12N4O2/c11-9(16-10(12)13)6-1-4-8(14-5-6)15-7-2-3-7/h1,4-5,7,11H,2-3H2,(H3,12,13)/b11-9-
InChIKeyJQMLKWDICPYEPM-LUAWRHEFSA-N
XLogP0.86
TPSA105.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 carbamimidoyl 6-cyclopropyloxypyridine-3-carboximidate?
The IUPAC name of carbamimidoyl 6-cyclopropyloxypyridine-3-carboximidate (CID 177243789) is carbamimidoyl 6-cyclopropyloxypyridine-3-carboximidate.
What is the SMILES notation for carbamimidoyl 6-cyclopropyloxypyridine-3-carboximidate?
The canonical SMILES for carbamimidoyl 6-cyclopropyloxypyridine-3-carboximidate is [H]/N=C(\O/C(N)=N/[H])c1ccc(OC2CC2)nc1.
What is the InChIKey of carbamimidoyl 6-cyclopropyloxypyridine-3-carboximidate?
The InChIKey is JQMLKWDICPYEPM-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H12N4O2/c11-9(16-10(12)13)6-1-4-8(14-5-6)15-7-2-3-7/h1,4-5,7,11H,2-3H2,(H3,12,13)/b11-9-.
What are the key properties of carbamimidoyl 6-cyclopropyloxypyridine-3-carboximidate?
carbamimidoyl 6-cyclopropyloxypyridine-3-carboximidate has a molecular weight of 220.23 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbamimidoyl 6-cyclopropyloxypyridine-3-carboximidate is sourced from PubChem (CID 177243789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).