5-[[(3-cyanophenyl)methyl-methylamino]methyl]furan-2-carbohydrazide

C15H16N4O2 — CID 63585765

IUPAC5-[[(3-cyanophenyl)methyl-methylamino]methyl]furan-2-carbohydrazide
SMILESCN(Cc1cccc(C#N)c1)Cc1ccc(C(=O)NN)o1
InChIInChI=1S/C15H16N4O2/c1-19(9-12-4-2-3-11(7-12)8-16)10-13-5-6-14(21-13)15(20)18-17/h2-7H,9-10,17H2,1H3,(H,18,20)
InChIKeyHSEJNXDWVZOUHE-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.39
Rot. Bonds5

About 5-[[(3-cyanophenyl)methyl-methylamino]methyl]furan-2-carbohydrazide

5-[[(3-cyanophenyl)methyl-methylamino]methyl]furan-2-carbohydrazide (PubChem CID 63585765) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-[[(3-cyanophenyl)methyl-methylamino]methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[[(3-cyanophenyl)methyl-methylamino]methyl]furan-2-carbohydrazide
PubChem CID63585765
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name5-[[(3-cyanophenyl)methyl-methylamino]methyl]furan-2-carbohydrazide
SMILESCN(Cc1cccc(C#N)c1)Cc1ccc(C(=O)NN)o1
InChIInChI=1S/C15H16N4O2/c1-19(9-12-4-2-3-11(7-12)8-16)10-13-5-6-14(21-13)15(20)18-17/h2-7H,9-10,17H2,1H3,(H,18,20)
InChIKeyHSEJNXDWVZOUHE-UHFFFAOYSA-N
XLogP1.39
TPSA95.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[[(3-cyanophenyl)methyl-methylamino]methyl]furan-2-carboxylic acid
CID 62970029
5-[[(3-methoxyphenyl)methyl-methylamino]methyl]furan-2-carbohydrazide
CID 63578444
3-[[(5-bromofuran-2-yl)methyl-methylamino]methyl]benzonitrile
CID 37421336
2-[(3-cyanophenyl)methyl-methylamino]acetohydrazide
CID 63585387
5-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-carbohydrazide
CID 63577746
3-[[(3-cyanophenyl)methyl-methylamino]methyl]benzoic acid
CID 62970028
5-[[3-(dimethylamino)propyl-methylamino]methyl]furan-2-carbohydrazide
CID 63726556
3-[[(3-cyanophenyl)methyl-methylamino]methyl]-N-phenylbenzamide
CID 87021499
5-[[(3-cyanophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide
CID 63583170
3-[[(4-iodophenyl)methyl-methylamino]methyl]benzonitrile
CID 65476778
5-[(3-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide
CID 63583297
3-[(3-cyanophenyl)methyl-methylamino]butanehydrazide
CID 63583351

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-cyanophenyl)methyl-methylamino]methyl]furan-2-carbohydrazide?
The IUPAC name of 5-[[(3-cyanophenyl)methyl-methylamino]methyl]furan-2-carbohydrazide (CID 63585765) is 5-[[(3-cyanophenyl)methyl-methylamino]methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[[(3-cyanophenyl)methyl-methylamino]methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[[(3-cyanophenyl)methyl-methylamino]methyl]furan-2-carbohydrazide is CN(Cc1cccc(C#N)c1)Cc1ccc(C(=O)NN)o1.
What is the InChIKey of 5-[[(3-cyanophenyl)methyl-methylamino]methyl]furan-2-carbohydrazide?
The InChIKey is HSEJNXDWVZOUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-19(9-12-4-2-3-11(7-12)8-16)10-13-5-6-14(21-13)15(20)18-17/h2-7H,9-10,17H2,1H3,(H,18,20).
What are the key properties of 5-[[(3-cyanophenyl)methyl-methylamino]methyl]furan-2-carbohydrazide?
5-[[(3-cyanophenyl)methyl-methylamino]methyl]furan-2-carbohydrazide has a molecular weight of 284.32 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-cyanophenyl)methyl-methylamino]methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63585765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).