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

C16H13F3N4O2 — CID 3276507

IUPACN'-(3-cyano-4-methoxy-2-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]methanimidamide
SMILESCOc1ccnc(/N=C/NOCc2cccc(C(F)(F)F)c2)c1C#N
InChIInChI=1S/C16H13F3N4O2/c1-24-14-5-6-21-15(13(14)8-20)22-10-23-25-9-11-3-2-4-12(7-11)16(17,18)19/h2-7,10H,9H2,1H3,(H,21,22,23)
InChIKeyRXRZOYMBIKOYFN-UHFFFAOYSA-N
MW350.30 g/mol
LogP3.36
Rot. Bonds6

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

N'-(3-cyano-4-methoxy-2-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]methanimidamide (PubChem CID 3276507) has the molecular formula C16H13F3N4O2 and a molecular weight of 350.30 g/mol. Its IUPAC name is N'-(3-cyano-4-methoxy-2-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]methanimidamide.

Molecular Properties

Compound NameN'-(3-cyano-4-methoxy-2-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]methanimidamide
PubChem CID3276507
Molecular FormulaC16H13F3N4O2
Molecular Weight350.30 g/mol
Exact Mass350.10
IUPAC NameN'-(3-cyano-4-methoxy-2-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]methanimidamide
SMILESCOc1ccnc(/N=C/NOCc2cccc(C(F)(F)F)c2)c1C#N
InChIInChI=1S/C16H13F3N4O2/c1-24-14-5-6-21-15(13(14)8-20)22-10-23-25-9-11-3-2-4-12(7-11)16(17,18)19/h2-7,10H,9H2,1H3,(H,21,22,23)
InChIKeyRXRZOYMBIKOYFN-UHFFFAOYSA-N
XLogP3.36
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 53.36
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-[[3-(trifluoromethyl)phenyl]methoxy]methanimidamide?
The IUPAC name of N'-(3-cyano-4-methoxy-2-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]methanimidamide (CID 3276507) is N'-(3-cyano-4-methoxy-2-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]methanimidamide.
What is the SMILES notation for N'-(3-cyano-4-methoxy-2-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]methanimidamide?
The canonical SMILES for N'-(3-cyano-4-methoxy-2-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]methanimidamide is COc1ccnc(/N=C/NOCc2cccc(C(F)(F)F)c2)c1C#N.
What is the InChIKey of N'-(3-cyano-4-methoxy-2-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]methanimidamide?
The InChIKey is RXRZOYMBIKOYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O2/c1-24-14-5-6-21-15(13(14)8-20)22-10-23-25-9-11-3-2-4-12(7-11)16(17,18)19/h2-7,10H,9H2,1H3,(H,21,22,23).
What are the key properties of N'-(3-cyano-4-methoxy-2-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]methanimidamide?
N'-(3-cyano-4-methoxy-2-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]methanimidamide has a molecular weight of 350.30 g/mol, XLogP of 3.36, 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-[[3-(trifluoromethyl)phenyl]methoxy]methanimidamide is sourced from PubChem (CID 3276507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).