3-[2-(dicyanomethylidene)hydrazinyl]-4-methoxybenzamide

C11H9N5O2 — CID 169341777

IUPAC3-[2-(dicyanomethylidene)hydrazinyl]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1NN=C(C#N)C#N
InChIInChI=1S/C11H9N5O2/c1-18-10-3-2-7(11(14)17)4-9(10)16-15-8(5-12)6-13/h2-4,16H,1H3,(H2,14,17)
InChIKeyNMJVXDGJYUFHKD-UHFFFAOYSA-N
MW243.23 g/mol
LogP0.61
Rot. Bonds4

About 3-[2-(dicyanomethylidene)hydrazinyl]-4-methoxybenzamide

3-[2-(dicyanomethylidene)hydrazinyl]-4-methoxybenzamide (PubChem CID 169341777) has the molecular formula C11H9N5O2 and a molecular weight of 243.23 g/mol. Its IUPAC name is 3-[2-(dicyanomethylidene)hydrazinyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-[2-(dicyanomethylidene)hydrazinyl]-4-methoxybenzamide
PubChem CID169341777
Molecular FormulaC11H9N5O2
Molecular Weight243.23 g/mol
Exact Mass243.08
IUPAC Name3-[2-(dicyanomethylidene)hydrazinyl]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1NN=C(C#N)C#N
InChIInChI=1S/C11H9N5O2/c1-18-10-3-2-7(11(14)17)4-9(10)16-15-8(5-12)6-13/h2-4,16H,1H3,(H2,14,17)
InChIKeyNMJVXDGJYUFHKD-UHFFFAOYSA-N
XLogP0.61
TPSA124.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(3,4-dimethoxybenzoyl)phenyl]hydrazinylidene]propanedinitrile
CID 169341217
4-methoxy-3-(prop-2-ynylamino)benzamide
CID 63952284
methyl 3-[2-(dicyanomethylidene)hydrazinyl]-4-hydroxy-5-methoxybenzoate
CID 169340084
2-[[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169340237
4-methoxy-3-(propan-2-ylamino)benzamide
CID 43735396
3-[(2-bromoacetyl)amino]-4-methoxybenzamide
CID 63681026
2-[(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)hydrazinylidene]propanedinitrile
CID 169340787
3-[(3-cyanophenyl)methylamino]-4-methoxybenzamide
CID 43735340
3-[(4-cyanophenyl)methylamino]-4-methoxybenzamide
CID 43735345
2-[(4,5-dimethoxy-2-methylphenyl)hydrazinylidene]propanedinitrile
CID 169338095
2-[(4-bromo-2-methoxyphenyl)hydrazinylidene]propanedinitrile
CID 169341937
4-methoxy-3-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374757

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dicyanomethylidene)hydrazinyl]-4-methoxybenzamide?
The IUPAC name of 3-[2-(dicyanomethylidene)hydrazinyl]-4-methoxybenzamide (CID 169341777) is 3-[2-(dicyanomethylidene)hydrazinyl]-4-methoxybenzamide.
What is the SMILES notation for 3-[2-(dicyanomethylidene)hydrazinyl]-4-methoxybenzamide?
The canonical SMILES for 3-[2-(dicyanomethylidene)hydrazinyl]-4-methoxybenzamide is COc1ccc(C(N)=O)cc1NN=C(C#N)C#N.
What is the InChIKey of 3-[2-(dicyanomethylidene)hydrazinyl]-4-methoxybenzamide?
The InChIKey is NMJVXDGJYUFHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2/c1-18-10-3-2-7(11(14)17)4-9(10)16-15-8(5-12)6-13/h2-4,16H,1H3,(H2,14,17).
What are the key properties of 3-[2-(dicyanomethylidene)hydrazinyl]-4-methoxybenzamide?
3-[2-(dicyanomethylidene)hydrazinyl]-4-methoxybenzamide has a molecular weight of 243.23 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dicyanomethylidene)hydrazinyl]-4-methoxybenzamide is sourced from PubChem (CID 169341777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).