3-methyl-5-[(4-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide

C12H13N3O3 — CID 63578343

IUPAC3-methyl-5-[(4-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
SMILESCc1cc(Cn2ccc(=O)cc2)oc1C(=O)NN
InChIInChI=1S/C12H13N3O3/c1-8-6-10(18-11(8)12(17)14-13)7-15-4-2-9(16)3-5-15/h2-6H,7,13H2,1H3,(H,14,17)
InChIKeyFABUKLLFRKETCY-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.40
Rot. Bonds3

About 3-methyl-5-[(4-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide

3-methyl-5-[(4-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide (PubChem CID 63578343) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 3-methyl-5-[(4-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-methyl-5-[(4-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
PubChem CID63578343
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name3-methyl-5-[(4-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
SMILESCc1cc(Cn2ccc(=O)cc2)oc1C(=O)NN
InChIInChI=1S/C12H13N3O3/c1-8-6-10(18-11(8)12(17)14-13)7-15-4-2-9(16)3-5-15/h2-6H,7,13H2,1H3,(H,14,17)
InChIKeyFABUKLLFRKETCY-UHFFFAOYSA-N
XLogP0.40
TPSA90.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.40
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'}

Analyze 3-methyl-5-[(4-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-5-[(3-methyl-6-oxopyridazin-1-yl)methyl]furan-2-carbohydrazide
CID 63581869
5-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-3-methylfuran-2-carbohydrazide
CID 63571845
5-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide
CID 63572055
5-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methylfuran-2-carbohydrazide
CID 55213233
5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methylfuran-2-carbohydrazide
CID 63571130
3-methyl-5-(methylsulfanylmethyl)furan-2-carbohydrazide
CID 63581814
2-methyl-5-[(4-oxo-1-pyridinyl)methyl]furan-3-carboxylic acid
CID 62880491
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-methylfuran-2-carbohydrazide
CID 115562526
3-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-carbohydrazide
CID 114540671
5-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide
CID 66328558
5-[(N,4-dimethylanilino)methyl]-3-methylfuran-2-carbohydrazide
CID 63585841
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-carbohydrazide
CID 63577257

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(4-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide?
The IUPAC name of 3-methyl-5-[(4-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide (CID 63578343) is 3-methyl-5-[(4-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-methyl-5-[(4-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide?
The canonical SMILES for 3-methyl-5-[(4-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide is Cc1cc(Cn2ccc(=O)cc2)oc1C(=O)NN.
What is the InChIKey of 3-methyl-5-[(4-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide?
The InChIKey is FABUKLLFRKETCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-8-6-10(18-11(8)12(17)14-13)7-15-4-2-9(16)3-5-15/h2-6H,7,13H2,1H3,(H,14,17).
What are the key properties of 3-methyl-5-[(4-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide?
3-methyl-5-[(4-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide has a molecular weight of 247.25 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(4-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63578343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).