5-[(4-cyano-N-methylanilino)methyl]-2-methylfuran-3-carbohydrazide

C15H16N4O2 — CID 63572843

IUPAC5-[(4-cyano-N-methylanilino)methyl]-2-methylfuran-3-carbohydrazide
SMILESCc1oc(CN(C)c2ccc(C#N)cc2)cc1C(=O)NN
InChIInChI=1S/C15H16N4O2/c1-10-14(15(20)18-17)7-13(21-10)9-19(2)12-5-3-11(8-16)4-6-12/h3-7H,9,17H2,1-2H3,(H,18,20)
InChIKeyRLTGNVFRQPEPPP-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.70
Rot. Bonds4

About 5-[(4-cyano-N-methylanilino)methyl]-2-methylfuran-3-carbohydrazide

5-[(4-cyano-N-methylanilino)methyl]-2-methylfuran-3-carbohydrazide (PubChem CID 63572843) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-[(4-cyano-N-methylanilino)methyl]-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound Name5-[(4-cyano-N-methylanilino)methyl]-2-methylfuran-3-carbohydrazide
PubChem CID63572843
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name5-[(4-cyano-N-methylanilino)methyl]-2-methylfuran-3-carbohydrazide
SMILESCc1oc(CN(C)c2ccc(C#N)cc2)cc1C(=O)NN
InChIInChI=1S/C15H16N4O2/c1-10-14(15(20)18-17)7-13(21-10)9-19(2)12-5-3-11(8-16)4-6-12/h3-7H,9,17H2,1-2H3,(H,18,20)
InChIKeyRLTGNVFRQPEPPP-UHFFFAOYSA-N
XLogP1.70
TPSA95.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.70
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-cyano-N-methylanilino)methyl]-2-methylfuran-3-carbohydrazide
CID 63573992
5-[(3-cyano-N-methylanilino)methyl]-2-methylfuran-3-carboxylic acid
CID 62981695
5-[(3-cyano-N-methylanilino)methyl]-3-methylfuran-2-carbohydrazide
CID 63571731
2-methyl-5-[[methyl(propyl)amino]methyl]furan-3-carbohydrazide
CID 63572711
5-[(2-cyanopyrrol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 114655508
5-[(4-cyano-N-methylanilino)methyl]-1,2-oxazole-3-carboxylic acid
CID 55142151
5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-carbohydrazide
CID 63584688
5-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 80582970
N-[(4-cyanophenyl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 47161865
3-[[4-(hydrazinecarbonyl)-5-methylfuran-2-yl]methyl-methylamino]-N,2-dimethylpropanamide
CID 106918303
5-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-methylfuran-3-carbohydrazide
CID 63579462
2-methyl-5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]furan-3-carbohydrazide
CID 63585605

Frequently Asked Questions

What is the IUPAC name of 5-[(4-cyano-N-methylanilino)methyl]-2-methylfuran-3-carbohydrazide?
The IUPAC name of 5-[(4-cyano-N-methylanilino)methyl]-2-methylfuran-3-carbohydrazide (CID 63572843) is 5-[(4-cyano-N-methylanilino)methyl]-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for 5-[(4-cyano-N-methylanilino)methyl]-2-methylfuran-3-carbohydrazide?
The canonical SMILES for 5-[(4-cyano-N-methylanilino)methyl]-2-methylfuran-3-carbohydrazide is Cc1oc(CN(C)c2ccc(C#N)cc2)cc1C(=O)NN.
What is the InChIKey of 5-[(4-cyano-N-methylanilino)methyl]-2-methylfuran-3-carbohydrazide?
The InChIKey is RLTGNVFRQPEPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-10-14(15(20)18-17)7-13(21-10)9-19(2)12-5-3-11(8-16)4-6-12/h3-7H,9,17H2,1-2H3,(H,18,20).
What are the key properties of 5-[(4-cyano-N-methylanilino)methyl]-2-methylfuran-3-carbohydrazide?
5-[(4-cyano-N-methylanilino)methyl]-2-methylfuran-3-carbohydrazide has a molecular weight of 284.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-cyano-N-methylanilino)methyl]-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 63572843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).