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

C12H13N3O3 — CID 63579417

IUPAC5-[(3-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide
SMILESCc1cccn(Cc2cc(C(=O)NN)co2)c1=O
InChIInChI=1S/C12H13N3O3/c1-8-3-2-4-15(12(8)17)6-10-5-9(7-18-10)11(16)14-13/h2-5,7H,6,13H2,1H3,(H,14,16)
InChIKeyOWQPWNCXVWWPCC-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.40
Rot. Bonds3

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

5-[(3-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide (PubChem CID 63579417) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 5-[(3-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name5-[(3-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide
PubChem CID63579417
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name5-[(3-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide
SMILESCc1cccn(Cc2cc(C(=O)NN)co2)c1=O
InChIInChI=1S/C12H13N3O3/c1-8-3-2-4-15(12(8)17)6-10-5-9(7-18-10)11(16)14-13/h2-5,7H,6,13H2,1H3,(H,14,16)
InChIKeyOWQPWNCXVWWPCC-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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Related Compounds

3-[(3-methyl-2-oxo-1-pyridinyl)methyl]benzohydrazide
CID 63579248
2-[(3-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide
CID 55249877
5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]furan-3-carbohydrazide
CID 63812365
5-[(4,6-dichloroindol-1-yl)methyl]furan-3-carbohydrazide
CID 103428139
5-[(7-chloroindol-1-yl)methyl]furan-3-carbohydrazide
CID 103474683
2-[4-[(3-methyl-2-oxo-1-pyridinyl)methyl]phenyl]acetohydrazide
CID 105352210
5-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carbohydrazide
CID 63579908
5-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-3-carbohydrazide
CID 63571860
5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide
CID 63569061
5-[(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]furan-3-carbohydrazide
CID 79886873
5-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]furan-3-carbohydrazide
CID 63581288
5-[(4-methyl-3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide
CID 64696021

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide?
The IUPAC name of 5-[(3-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide (CID 63579417) is 5-[(3-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 5-[(3-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide?
The canonical SMILES for 5-[(3-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide is Cc1cccn(Cc2cc(C(=O)NN)co2)c1=O.
What is the InChIKey of 5-[(3-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide?
The InChIKey is OWQPWNCXVWWPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-8-3-2-4-15(12(8)17)6-10-5-9(7-18-10)11(16)14-13/h2-5,7H,6,13H2,1H3,(H,14,16).
What are the key properties of 5-[(3-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide?
5-[(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 5-[(3-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63579417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).