3-[(3-cyano-N-methylanilino)methyl]furan-2-carbohydrazide

C14H14N4O2 — CID 63574156

IUPAC3-[(3-cyano-N-methylanilino)methyl]furan-2-carbohydrazide
SMILESCN(Cc1ccoc1C(=O)NN)c1cccc(C#N)c1
InChIInChI=1S/C14H14N4O2/c1-18(12-4-2-3-10(7-12)8-15)9-11-5-6-20-13(11)14(19)17-16/h2-7H,9,16H2,1H3,(H,17,19)
InChIKeyRJJDHYALWGUAJH-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.39
Rot. Bonds4

About 3-[(3-cyano-N-methylanilino)methyl]furan-2-carbohydrazide

3-[(3-cyano-N-methylanilino)methyl]furan-2-carbohydrazide (PubChem CID 63574156) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-[(3-cyano-N-methylanilino)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-[(3-cyano-N-methylanilino)methyl]furan-2-carbohydrazide
PubChem CID63574156
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name3-[(3-cyano-N-methylanilino)methyl]furan-2-carbohydrazide
SMILESCN(Cc1ccoc1C(=O)NN)c1cccc(C#N)c1
InChIInChI=1S/C14H14N4O2/c1-18(12-4-2-3-10(7-12)8-15)9-11-5-6-20-13(11)14(19)17-16/h2-7H,9,16H2,1H3,(H,17,19)
InChIKeyRJJDHYALWGUAJH-UHFFFAOYSA-N
XLogP1.39
TPSA95.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
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

3-[(3-cyano-N-methylanilino)methyl]furan-2-carboxylic acid
CID 62981339
5-[(3-cyano-N-methylanilino)methyl]-3-methylfuran-2-carbohydrazide
CID 63571731
5-[(3-cyano-N-methylanilino)methyl]-2-methylfuran-3-carbohydrazide
CID 63573992
3-[(dimethylamino)methyl]furan-2-carbohydrazide
CID 63571555
3-[(4-cyano-2,6-dimethylphenoxy)methyl]furan-2-carbohydrazide
CID 65472904
3-[(3-cyano-N-methylanilino)methyl]-4-fluorobenzoic acid
CID 107452261
3-[(2-fluorophenyl)methyl-methylamino]benzonitrile
CID 47078108
4-[(3-cyano-N-methylanilino)methyl]benzoic acid
CID 62981168
3-[(4-hydrazinyl-2-pyridinyl)methyl-methylamino]benzonitrile
CID 79260472
5-[(3-cyano-N-methylanilino)methyl]-2-methylfuran-3-carboxylic acid
CID 62981695
3-[[bis(prop-2-enyl)amino]methyl]furan-2-carbohydrazide
CID 63571598
3-[[methyl(piperidin-4-yl)amino]methyl]furan-2-carbohydrazide
CID 63577197

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyano-N-methylanilino)methyl]furan-2-carbohydrazide?
The IUPAC name of 3-[(3-cyano-N-methylanilino)methyl]furan-2-carbohydrazide (CID 63574156) is 3-[(3-cyano-N-methylanilino)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-[(3-cyano-N-methylanilino)methyl]furan-2-carbohydrazide?
The canonical SMILES for 3-[(3-cyano-N-methylanilino)methyl]furan-2-carbohydrazide is CN(Cc1ccoc1C(=O)NN)c1cccc(C#N)c1.
What is the InChIKey of 3-[(3-cyano-N-methylanilino)methyl]furan-2-carbohydrazide?
The InChIKey is RJJDHYALWGUAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-18(12-4-2-3-10(7-12)8-15)9-11-5-6-20-13(11)14(19)17-16/h2-7H,9,16H2,1H3,(H,17,19).
What are the key properties of 3-[(3-cyano-N-methylanilino)methyl]furan-2-carbohydrazide?
3-[(3-cyano-N-methylanilino)methyl]furan-2-carbohydrazide has a molecular weight of 270.29 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyano-N-methylanilino)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63574156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).