1-cyano-N'-(4-methoxyanilino)-N-(4-methoxyphenyl)iminomethanimidamide

C16H15N5O2 — CID 3914053

IUPAC1-cyano-N'-(4-methoxyanilino)-N-(4-methoxyphenyl)iminomethanimidamide
SMILESCOc1ccc(/N=N/C(C#N)=NNc2ccc(OC)cc2)cc1
InChIInChI=1S/C16H15N5O2/c1-22-14-7-3-12(4-8-14)18-20-16(11-17)21-19-13-5-9-15(23-2)10-6-13/h3-10,18H,1-2H3/b20-16?,21-19+
InChIKeyGPBUBTBGZLSJTJ-NXSQIEGHSA-N
MW309.33 g/mol
LogP3.74
Rot. Bonds5

About 1-cyano-N'-(4-methoxyanilino)-N-(4-methoxyphenyl)iminomethanimidamide

1-cyano-N'-(4-methoxyanilino)-N-(4-methoxyphenyl)iminomethanimidamide (PubChem CID 3914053) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 1-cyano-N'-(4-methoxyanilino)-N-(4-methoxyphenyl)iminomethanimidamide.

Molecular Properties

Compound Name1-cyano-N'-(4-methoxyanilino)-N-(4-methoxyphenyl)iminomethanimidamide
PubChem CID3914053
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name1-cyano-N'-(4-methoxyanilino)-N-(4-methoxyphenyl)iminomethanimidamide
SMILESCOc1ccc(/N=N/C(C#N)=NNc2ccc(OC)cc2)cc1
InChIInChI=1S/C16H15N5O2/c1-22-14-7-3-12(4-8-14)18-20-16(11-17)21-19-13-5-9-15(23-2)10-6-13/h3-10,18H,1-2H3/b20-16?,21-19+
InChIKeyGPBUBTBGZLSJTJ-NXSQIEGHSA-N
XLogP3.74
TPSA91.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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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Related Compounds

1-cyano-N'-(4-methylanilino)-N-(4-methylphenyl)iminomethanimidamide
CID 13482019
[4-[2-[cyano-[[4-(trifluoromethyl)phenyl]diazenyl]methylidene]hydrazinyl]phenyl] trifluoromethanesulfonate
CID 173356280
(1E)-1-cyano-N-(4-methoxyphenyl)methanehydrazonoyl chloride
CID 90158450
1-cyano-N'-(3,4-dichloroanilino)-N-[4-(trifluoromethyl)phenyl]iminomethanimidamide
CID 70614495
2-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]hydrazinylidene]propanedinitrile
CID 169337896
ethyl (2E)-2-cyano-2-[(4-methoxyphenyl)hydrazinylidene]acetate
CID 6880876
ethyl (2Z)-2-cyano-2-[(4-methoxyphenyl)hydrazinylidene]acetate
CID 5417584
(4-methoxyphenyl)iminocyanamide
CID 12569088
(1Z)-2-(4-methoxyphenyl)-N-(4-methylanilino)-2-oxoethanimidoyl cyanide
CID 6293273
N-[(4-fluorophenyl)diazenyl]-4-methoxyaniline
CID 2853312
(1Z)-2-amino-2-imino-N-[4-(4-methoxyphenoxy)anilino]ethanimidoyl cyanide
CID 172932012
(1Z)-2-amino-2-(azepan-1-ium-1-ylidene)-N-(4-methoxyanilino)ethanimidoyl cyanide
CID 6896439

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N'-(4-methoxyanilino)-N-(4-methoxyphenyl)iminomethanimidamide?
The IUPAC name of 1-cyano-N'-(4-methoxyanilino)-N-(4-methoxyphenyl)iminomethanimidamide (CID 3914053) is 1-cyano-N'-(4-methoxyanilino)-N-(4-methoxyphenyl)iminomethanimidamide.
What is the SMILES notation for 1-cyano-N'-(4-methoxyanilino)-N-(4-methoxyphenyl)iminomethanimidamide?
The canonical SMILES for 1-cyano-N'-(4-methoxyanilino)-N-(4-methoxyphenyl)iminomethanimidamide is COc1ccc(/N=N/C(C#N)=NNc2ccc(OC)cc2)cc1.
What is the InChIKey of 1-cyano-N'-(4-methoxyanilino)-N-(4-methoxyphenyl)iminomethanimidamide?
The InChIKey is GPBUBTBGZLSJTJ-NXSQIEGHSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-22-14-7-3-12(4-8-14)18-20-16(11-17)21-19-13-5-9-15(23-2)10-6-13/h3-10,18H,1-2H3/b20-16?,21-19+.
What are the key properties of 1-cyano-N'-(4-methoxyanilino)-N-(4-methoxyphenyl)iminomethanimidamide?
1-cyano-N'-(4-methoxyanilino)-N-(4-methoxyphenyl)iminomethanimidamide has a molecular weight of 309.33 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N'-(4-methoxyanilino)-N-(4-methoxyphenyl)iminomethanimidamide is sourced from PubChem (CID 3914053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).