ethanimidoyl 2-[(5-ethanimidoyl-2-pyridinyl)oxy]ethanimidate

C11H14N4O2 — CID 144887514

IUPACethanimidoyl 2-[(5-ethanimidoyl-2-pyridinyl)oxy]ethanimidate
SMILES[H]/N=C(/COc1ccc(/C(C)=N/[H])cn1)O/C(C)=N/[H]
InChIInChI=1S/C11H14N4O2/c1-7(12)9-3-4-11(15-5-9)16-6-10(14)17-8(2)13/h3-5,12-14H,6H2,1-2H3/b12-7+,13-8+,14-10-
InChIKeyLWOAOHCKAINNKC-YEOMYCFLSA-N
MW234.26 g/mol
LogP1.84
Rot. Bonds4

About ethanimidoyl 2-[(5-ethanimidoyl-2-pyridinyl)oxy]ethanimidate

ethanimidoyl 2-[(5-ethanimidoyl-2-pyridinyl)oxy]ethanimidate (PubChem CID 144887514) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is ethanimidoyl 2-[(5-ethanimidoyl-2-pyridinyl)oxy]ethanimidate.

Molecular Properties

Compound Nameethanimidoyl 2-[(5-ethanimidoyl-2-pyridinyl)oxy]ethanimidate
PubChem CID144887514
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Nameethanimidoyl 2-[(5-ethanimidoyl-2-pyridinyl)oxy]ethanimidate
SMILES[H]/N=C(/COc1ccc(/C(C)=N/[H])cn1)O/C(C)=N/[H]
InChIInChI=1S/C11H14N4O2/c1-7(12)9-3-4-11(15-5-9)16-6-10(14)17-8(2)13/h3-5,12-14H,6H2,1-2H3/b12-7+,13-8+,14-10-
InChIKeyLWOAOHCKAINNKC-YEOMYCFLSA-N
XLogP1.84
TPSA102.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethanimidoyl 2-[[5-[C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]-2-pyridinyl]oxy]ethanimidate
CID 123770471
2-[(5-carbamoyl-2-pyridinyl)oxy]acetic acid
CID 114335315
1-(6-bromo-3-pyridinyl)ethanimine;ethane;2-methylpropane-2-thiol
CID 166536269
6-[4-(2-oxopropyl)phenoxy]pyridine-3-carboxamide
CID 22087205
6-butoxypyridine-3-carboxamide
CID 506622
4-ethanimidoylbenzenecarboximidamide
CID 148687988
(6-methoxy-3-pyridinyl)-(4-methylphenyl)methanimine
CID 142977847
6-(2-hydroxyethoxy)pyridine-3-carboxamide
CID 166748970
ethanol;(6-methoxy-3-pyridinyl)-(4-methylphenyl)methanimine
CID 142977869
6-[15-(diaminomethylideneamino)-6-iminopentadecoxy]pyridine-3-carboximidamide
CID 162195050
carbamimidoyl 6-cyclopropyloxypyridine-3-carboximidate
CID 177243789
4-[5-(6-ethanimidoyl-3-pyridinyl)-2-pyridinyl]benzenecarboximidamide
CID 58478012

Frequently Asked Questions

What is the IUPAC name of ethanimidoyl 2-[(5-ethanimidoyl-2-pyridinyl)oxy]ethanimidate?
The IUPAC name of ethanimidoyl 2-[(5-ethanimidoyl-2-pyridinyl)oxy]ethanimidate (CID 144887514) is ethanimidoyl 2-[(5-ethanimidoyl-2-pyridinyl)oxy]ethanimidate.
What is the SMILES notation for ethanimidoyl 2-[(5-ethanimidoyl-2-pyridinyl)oxy]ethanimidate?
The canonical SMILES for ethanimidoyl 2-[(5-ethanimidoyl-2-pyridinyl)oxy]ethanimidate is [H]/N=C(/COc1ccc(/C(C)=N/[H])cn1)O/C(C)=N/[H].
What is the InChIKey of ethanimidoyl 2-[(5-ethanimidoyl-2-pyridinyl)oxy]ethanimidate?
The InChIKey is LWOAOHCKAINNKC-YEOMYCFLSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-7(12)9-3-4-11(15-5-9)16-6-10(14)17-8(2)13/h3-5,12-14H,6H2,1-2H3/b12-7+,13-8+,14-10-.
What are the key properties of ethanimidoyl 2-[(5-ethanimidoyl-2-pyridinyl)oxy]ethanimidate?
ethanimidoyl 2-[(5-ethanimidoyl-2-pyridinyl)oxy]ethanimidate has a molecular weight of 234.26 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethanimidoyl 2-[(5-ethanimidoyl-2-pyridinyl)oxy]ethanimidate is sourced from PubChem (CID 144887514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).