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

C16H16N4O2 — CID 3762372

IUPACN'-(3-cyano-4-methoxy-2-pyridinyl)-N-[(4-methylphenyl)methoxy]methanimidamide
SMILESCOc1ccnc(/N=C/NOCc2ccc(C)cc2)c1C#N
InChIInChI=1S/C16H16N4O2/c1-12-3-5-13(6-4-12)10-22-20-11-19-16-14(9-17)15(21-2)7-8-18-16/h3-8,11H,10H2,1-2H3,(H,18,19,20)
InChIKeyPHDSKDNWCCAVDY-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.65
Rot. Bonds6

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

N'-(3-cyano-4-methoxy-2-pyridinyl)-N-[(4-methylphenyl)methoxy]methanimidamide (PubChem CID 3762372) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N'-(3-cyano-4-methoxy-2-pyridinyl)-N-[(4-methylphenyl)methoxy]methanimidamide.

Molecular Properties

Compound NameN'-(3-cyano-4-methoxy-2-pyridinyl)-N-[(4-methylphenyl)methoxy]methanimidamide
PubChem CID3762372
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN'-(3-cyano-4-methoxy-2-pyridinyl)-N-[(4-methylphenyl)methoxy]methanimidamide
SMILESCOc1ccnc(/N=C/NOCc2ccc(C)cc2)c1C#N
InChIInChI=1S/C16H16N4O2/c1-12-3-5-13(6-4-12)10-22-20-11-19-16-14(9-17)15(21-2)7-8-18-16/h3-8,11H,10H2,1-2H3,(H,18,19,20)
InChIKeyPHDSKDNWCCAVDY-UHFFFAOYSA-N
XLogP2.65
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.65
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-[(4-methylphenyl)methoxy]methanimidamide?
The IUPAC name of N'-(3-cyano-4-methoxy-2-pyridinyl)-N-[(4-methylphenyl)methoxy]methanimidamide (CID 3762372) is N'-(3-cyano-4-methoxy-2-pyridinyl)-N-[(4-methylphenyl)methoxy]methanimidamide.
What is the SMILES notation for N'-(3-cyano-4-methoxy-2-pyridinyl)-N-[(4-methylphenyl)methoxy]methanimidamide?
The canonical SMILES for N'-(3-cyano-4-methoxy-2-pyridinyl)-N-[(4-methylphenyl)methoxy]methanimidamide is COc1ccnc(/N=C/NOCc2ccc(C)cc2)c1C#N.
What is the InChIKey of N'-(3-cyano-4-methoxy-2-pyridinyl)-N-[(4-methylphenyl)methoxy]methanimidamide?
The InChIKey is PHDSKDNWCCAVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-12-3-5-13(6-4-12)10-22-20-11-19-16-14(9-17)15(21-2)7-8-18-16/h3-8,11H,10H2,1-2H3,(H,18,19,20).
What are the key properties of N'-(3-cyano-4-methoxy-2-pyridinyl)-N-[(4-methylphenyl)methoxy]methanimidamide?
N'-(3-cyano-4-methoxy-2-pyridinyl)-N-[(4-methylphenyl)methoxy]methanimidamide has a molecular weight of 296.33 g/mol, XLogP of 2.65, 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-[(4-methylphenyl)methoxy]methanimidamide is sourced from PubChem (CID 3762372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).