5-methyl-4-[(2-methyl-6-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide

C13H15N3O3 — CID 55213686

IUPAC5-methyl-4-[(2-methyl-6-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1Cn1c(C)cccc1=O
InChIInChI=1S/C13H15N3O3/c1-8-4-3-5-12(17)16(8)7-10-6-11(13(18)15-14)19-9(10)2/h3-6H,7,14H2,1-2H3,(H,15,18)
InChIKeyAYZCKPMBIXPQNQ-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.71
Rot. Bonds3

About 5-methyl-4-[(2-methyl-6-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide

5-methyl-4-[(2-methyl-6-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide (PubChem CID 55213686) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-methyl-4-[(2-methyl-6-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-methyl-4-[(2-methyl-6-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
PubChem CID55213686
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name5-methyl-4-[(2-methyl-6-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1Cn1c(C)cccc1=O
InChIInChI=1S/C13H15N3O3/c1-8-4-3-5-12(17)16(8)7-10-6-11(13(18)15-14)19-9(10)2/h3-6H,7,14H2,1-2H3,(H,15,18)
InChIKeyAYZCKPMBIXPQNQ-UHFFFAOYSA-N
XLogP0.71
TPSA90.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.71
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 5-methyl-4-[(2-methyl-6-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide?
The IUPAC name of 5-methyl-4-[(2-methyl-6-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide (CID 55213686) is 5-methyl-4-[(2-methyl-6-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-methyl-4-[(2-methyl-6-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-methyl-4-[(2-methyl-6-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide is Cc1oc(C(=O)NN)cc1Cn1c(C)cccc1=O.
What is the InChIKey of 5-methyl-4-[(2-methyl-6-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide?
The InChIKey is AYZCKPMBIXPQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8-4-3-5-12(17)16(8)7-10-6-11(13(18)15-14)19-9(10)2/h3-6H,7,14H2,1-2H3,(H,15,18).
What are the key properties of 5-methyl-4-[(2-methyl-6-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide?
5-methyl-4-[(2-methyl-6-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide has a molecular weight of 261.28 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(2-methyl-6-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 55213686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).