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

C15H13FN4O2 — CID 3724707

IUPACN'-(3-cyano-4-methoxy-2-pyridinyl)-N-[(4-fluorophenyl)methoxy]methanimidamide
SMILESCOc1ccnc(/N=C/NOCc2ccc(F)cc2)c1C#N
InChIInChI=1S/C15H13FN4O2/c1-21-14-6-7-18-15(13(14)8-17)19-10-20-22-9-11-2-4-12(16)5-3-11/h2-7,10H,9H2,1H3,(H,18,19,20)
InChIKeyYVKMFSDHWFUQCI-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.48
Rot. Bonds6

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

N'-(3-cyano-4-methoxy-2-pyridinyl)-N-[(4-fluorophenyl)methoxy]methanimidamide (PubChem CID 3724707) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is N'-(3-cyano-4-methoxy-2-pyridinyl)-N-[(4-fluorophenyl)methoxy]methanimidamide.

Molecular Properties

Compound NameN'-(3-cyano-4-methoxy-2-pyridinyl)-N-[(4-fluorophenyl)methoxy]methanimidamide
PubChem CID3724707
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC NameN'-(3-cyano-4-methoxy-2-pyridinyl)-N-[(4-fluorophenyl)methoxy]methanimidamide
SMILESCOc1ccnc(/N=C/NOCc2ccc(F)cc2)c1C#N
InChIInChI=1S/C15H13FN4O2/c1-21-14-6-7-18-15(13(14)8-17)19-10-20-22-9-11-2-4-12(16)5-3-11/h2-7,10H,9H2,1H3,(H,18,19,20)
InChIKeyYVKMFSDHWFUQCI-UHFFFAOYSA-N
XLogP2.48
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.48
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-[(4-fluorophenyl)methoxy]methanimidamide?
The IUPAC name of N'-(3-cyano-4-methoxy-2-pyridinyl)-N-[(4-fluorophenyl)methoxy]methanimidamide (CID 3724707) is N'-(3-cyano-4-methoxy-2-pyridinyl)-N-[(4-fluorophenyl)methoxy]methanimidamide.
What is the SMILES notation for N'-(3-cyano-4-methoxy-2-pyridinyl)-N-[(4-fluorophenyl)methoxy]methanimidamide?
The canonical SMILES for N'-(3-cyano-4-methoxy-2-pyridinyl)-N-[(4-fluorophenyl)methoxy]methanimidamide is COc1ccnc(/N=C/NOCc2ccc(F)cc2)c1C#N.
What is the InChIKey of N'-(3-cyano-4-methoxy-2-pyridinyl)-N-[(4-fluorophenyl)methoxy]methanimidamide?
The InChIKey is YVKMFSDHWFUQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2/c1-21-14-6-7-18-15(13(14)8-17)19-10-20-22-9-11-2-4-12(16)5-3-11/h2-7,10H,9H2,1H3,(H,18,19,20).
What are the key properties of N'-(3-cyano-4-methoxy-2-pyridinyl)-N-[(4-fluorophenyl)methoxy]methanimidamide?
N'-(3-cyano-4-methoxy-2-pyridinyl)-N-[(4-fluorophenyl)methoxy]methanimidamide has a molecular weight of 300.29 g/mol, XLogP of 2.48, 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-[(4-fluorophenyl)methoxy]methanimidamide is sourced from PubChem (CID 3724707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).