5-methyl-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-carbohydrazide

C14H24N4O2 — CID 63573240

IUPAC5-methyl-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1CN(C)CCN1CCCC1
InChIInChI=1S/C14H24N4O2/c1-11-12(9-13(20-11)14(19)16-15)10-17(2)7-8-18-5-3-4-6-18/h9H,3-8,10,15H2,1-2H3,(H,16,19)
InChIKeyWJRHZAVHAQISAO-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.72
Rot. Bonds6

About 5-methyl-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-carbohydrazide

5-methyl-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-carbohydrazide (PubChem CID 63573240) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-methyl-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-methyl-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-carbohydrazide
PubChem CID63573240
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name5-methyl-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1CN(C)CCN1CCCC1
InChIInChI=1S/C14H24N4O2/c1-11-12(9-13(20-11)14(19)16-15)10-17(2)7-8-18-5-3-4-6-18/h9H,3-8,10,15H2,1-2H3,(H,16,19)
InChIKeyWJRHZAVHAQISAO-UHFFFAOYSA-N
XLogP0.72
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.72
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

4-(azocan-1-ylmethyl)-5-methylfuran-2-carbohydrazide
CID 63570994
4-[[2-cyanoethyl(methyl)amino]methyl]-5-methylfuran-2-carbohydrazide
CID 63570132
2-[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]acetohydrazide
CID 105351782
4-[(dibutylamino)methyl]-5-methylfuran-2-carbohydrazide
CID 63572307
5-methyl-4-[[methyl(pentan-3-yl)amino]methyl]furan-2-carbohydrazide
CID 63571436
5-methyl-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]furan-2-carbohydrazide
CID 63573613
4-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
CID 62889997
5-methyl-4-(piperazin-1-ylmethyl)furan-2-carbohydrazide
CID 63583235
4-(hydroxymethyl)-5-methylfuran-2-carbohydrazide
CID 63576410
4-[(N,3-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide
CID 63585085
4-[(N,2-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide
CID 63584013
5-methyl-4-[(4-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 63569181

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-carbohydrazide?
The IUPAC name of 5-methyl-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-carbohydrazide (CID 63573240) is 5-methyl-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-methyl-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-methyl-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-carbohydrazide is Cc1oc(C(=O)NN)cc1CN(C)CCN1CCCC1.
What is the InChIKey of 5-methyl-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-carbohydrazide?
The InChIKey is WJRHZAVHAQISAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-11-12(9-13(20-11)14(19)16-15)10-17(2)7-8-18-5-3-4-6-18/h9H,3-8,10,15H2,1-2H3,(H,16,19).
What are the key properties of 5-methyl-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-carbohydrazide?
5-methyl-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-carbohydrazide has a molecular weight of 280.37 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63573240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).