N'-(3-cyano-4-methoxy-2-pyridinyl)-N-[(2,3-dichlorophenyl)methoxy]methanimidamide

C15H12Cl2N4O2 — CID 3755891

IUPACN'-(3-cyano-4-methoxy-2-pyridinyl)-N-[(2,3-dichlorophenyl)methoxy]methanimidamide
SMILESCOc1ccnc(/N=C/NOCc2cccc(Cl)c2Cl)c1C#N
InChIInChI=1S/C15H12Cl2N4O2/c1-22-13-5-6-19-15(11(13)7-18)20-9-21-23-8-10-3-2-4-12(16)14(10)17/h2-6,9H,8H2,1H3,(H,19,20,21)
InChIKeyJEZKUILHUAOADY-UHFFFAOYSA-N
MW351.19 g/mol
LogP3.65
Rot. Bonds6

About N'-(3-cyano-4-methoxy-2-pyridinyl)-N-[(2,3-dichlorophenyl)methoxy]methanimidamide

N'-(3-cyano-4-methoxy-2-pyridinyl)-N-[(2,3-dichlorophenyl)methoxy]methanimidamide (PubChem CID 3755891) has the molecular formula C15H12Cl2N4O2 and a molecular weight of 351.19 g/mol. Its IUPAC name is N'-(3-cyano-4-methoxy-2-pyridinyl)-N-[(2,3-dichlorophenyl)methoxy]methanimidamide.

Molecular Properties

Compound NameN'-(3-cyano-4-methoxy-2-pyridinyl)-N-[(2,3-dichlorophenyl)methoxy]methanimidamide
PubChem CID3755891
Molecular FormulaC15H12Cl2N4O2
Molecular Weight351.19 g/mol
Exact Mass350.03
IUPAC NameN'-(3-cyano-4-methoxy-2-pyridinyl)-N-[(2,3-dichlorophenyl)methoxy]methanimidamide
SMILESCOc1ccnc(/N=C/NOCc2cccc(Cl)c2Cl)c1C#N
InChIInChI=1S/C15H12Cl2N4O2/c1-22-13-5-6-19-15(11(13)7-18)20-9-21-23-8-10-3-2-4-12(16)14(10)17/h2-6,9H,8H2,1H3,(H,19,20,21)
InChIKeyJEZKUILHUAOADY-UHFFFAOYSA-N
XLogP3.65
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-(3-cyano-4-methoxy-2-pyridinyl)-N-[(2,3-dichlorophenyl)methoxy]methanimidamide?
The IUPAC name of N'-(3-cyano-4-methoxy-2-pyridinyl)-N-[(2,3-dichlorophenyl)methoxy]methanimidamide (CID 3755891) is N'-(3-cyano-4-methoxy-2-pyridinyl)-N-[(2,3-dichlorophenyl)methoxy]methanimidamide.
What is the SMILES notation for N'-(3-cyano-4-methoxy-2-pyridinyl)-N-[(2,3-dichlorophenyl)methoxy]methanimidamide?
The canonical SMILES for N'-(3-cyano-4-methoxy-2-pyridinyl)-N-[(2,3-dichlorophenyl)methoxy]methanimidamide is COc1ccnc(/N=C/NOCc2cccc(Cl)c2Cl)c1C#N.
What is the InChIKey of N'-(3-cyano-4-methoxy-2-pyridinyl)-N-[(2,3-dichlorophenyl)methoxy]methanimidamide?
The InChIKey is JEZKUILHUAOADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4O2/c1-22-13-5-6-19-15(11(13)7-18)20-9-21-23-8-10-3-2-4-12(16)14(10)17/h2-6,9H,8H2,1H3,(H,19,20,21).
What are the key properties of N'-(3-cyano-4-methoxy-2-pyridinyl)-N-[(2,3-dichlorophenyl)methoxy]methanimidamide?
N'-(3-cyano-4-methoxy-2-pyridinyl)-N-[(2,3-dichlorophenyl)methoxy]methanimidamide has a molecular weight of 351.19 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyano-4-methoxy-2-pyridinyl)-N-[(2,3-dichlorophenyl)methoxy]methanimidamide is sourced from PubChem (CID 3755891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).