(Z)-N'-(2,6-dimethoxy-3-pyridinyl)-3-hydroxy-3-phenylprop-2-enimidamide

C16H17N3O3 — CID 135466466

IUPAC(Z)-N'-(2,6-dimethoxy-3-pyridinyl)-3-hydroxy-3-phenylprop-2-enimidamide
SMILESCOc1ccc(/N=C(N)/C=C(\O)c2ccccc2)c(OC)n1
InChIInChI=1S/C16H17N3O3/c1-21-15-9-8-12(16(19-15)22-2)18-14(17)10-13(20)11-6-4-3-5-7-11/h3-10,20H,1-2H3,(H2,17,18)/b13-10-
InChIKeyJBWZEBYBIHUIIZ-RAXLEYEMSA-N
MW299.33 g/mol
LogP2.69
Rot. Bonds5

About (Z)-N'-(2,6-dimethoxy-3-pyridinyl)-3-hydroxy-3-phenylprop-2-enimidamide

(Z)-N'-(2,6-dimethoxy-3-pyridinyl)-3-hydroxy-3-phenylprop-2-enimidamide (PubChem CID 135466466) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is (Z)-N'-(2,6-dimethoxy-3-pyridinyl)-3-hydroxy-3-phenylprop-2-enimidamide.

Molecular Properties

Compound Name(Z)-N'-(2,6-dimethoxy-3-pyridinyl)-3-hydroxy-3-phenylprop-2-enimidamide
PubChem CID135466466
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name(Z)-N'-(2,6-dimethoxy-3-pyridinyl)-3-hydroxy-3-phenylprop-2-enimidamide
SMILESCOc1ccc(/N=C(N)/C=C(\O)c2ccccc2)c(OC)n1
InChIInChI=1S/C16H17N3O3/c1-21-15-9-8-12(16(19-15)22-2)18-14(17)10-13(20)11-6-4-3-5-7-11/h3-10,20H,1-2H3,(H2,17,18)/b13-10-
InChIKeyJBWZEBYBIHUIIZ-RAXLEYEMSA-N
XLogP2.69
TPSA89.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 (Z)-N'-(2,6-dimethoxy-3-pyridinyl)-3-hydroxy-3-phenylprop-2-enimidamide?
The IUPAC name of (Z)-N'-(2,6-dimethoxy-3-pyridinyl)-3-hydroxy-3-phenylprop-2-enimidamide (CID 135466466) is (Z)-N'-(2,6-dimethoxy-3-pyridinyl)-3-hydroxy-3-phenylprop-2-enimidamide.
What is the SMILES notation for (Z)-N'-(2,6-dimethoxy-3-pyridinyl)-3-hydroxy-3-phenylprop-2-enimidamide?
The canonical SMILES for (Z)-N'-(2,6-dimethoxy-3-pyridinyl)-3-hydroxy-3-phenylprop-2-enimidamide is COc1ccc(/N=C(N)/C=C(\O)c2ccccc2)c(OC)n1.
What is the InChIKey of (Z)-N'-(2,6-dimethoxy-3-pyridinyl)-3-hydroxy-3-phenylprop-2-enimidamide?
The InChIKey is JBWZEBYBIHUIIZ-RAXLEYEMSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-21-15-9-8-12(16(19-15)22-2)18-14(17)10-13(20)11-6-4-3-5-7-11/h3-10,20H,1-2H3,(H2,17,18)/b13-10-.
What are the key properties of (Z)-N'-(2,6-dimethoxy-3-pyridinyl)-3-hydroxy-3-phenylprop-2-enimidamide?
(Z)-N'-(2,6-dimethoxy-3-pyridinyl)-3-hydroxy-3-phenylprop-2-enimidamide has a molecular weight of 299.33 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-(2,6-dimethoxy-3-pyridinyl)-3-hydroxy-3-phenylprop-2-enimidamide is sourced from PubChem (CID 135466466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).