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

C12H13N3O3 — CID 55249877

IUPAC2-[(3-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide
SMILESCc1cccn(Cc2occc2C(=O)NN)c1=O
InChIInChI=1S/C12H13N3O3/c1-8-3-2-5-15(12(8)17)7-10-9(4-6-18-10)11(16)14-13/h2-6H,7,13H2,1H3,(H,14,16)
InChIKeyQSOLRMUKJJARRO-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.40
Rot. Bonds3

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

2-[(3-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide (PubChem CID 55249877) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-[(3-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-[(3-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide
PubChem CID55249877
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name2-[(3-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide
SMILESCc1cccn(Cc2occc2C(=O)NN)c1=O
InChIInChI=1S/C12H13N3O3/c1-8-3-2-5-15(12(8)17)7-10-9(4-6-18-10)11(16)14-13/h2-6H,7,13H2,1H3,(H,14,16)
InChIKeyQSOLRMUKJJARRO-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide?
The IUPAC name of 2-[(3-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide (CID 55249877) is 2-[(3-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-[(3-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-[(3-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide is Cc1cccn(Cc2occc2C(=O)NN)c1=O.
What is the InChIKey of 2-[(3-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide?
The InChIKey is QSOLRMUKJJARRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-8-3-2-5-15(12(8)17)7-10-9(4-6-18-10)11(16)14-13/h2-6H,7,13H2,1H3,(H,14,16).
What are the key properties of 2-[(3-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide?
2-[(3-methyl-2-oxo-1-pyridinyl)methyl]furan-3-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 2-[(3-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 55249877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).