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

C12H12N4O5 — CID 79351546

IUPAC5-[(4-methyl-5-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
SMILESCc1cc(=O)n(Cc2ccc(C(=O)NN)o2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H12N4O5/c1-7-4-11(17)15(6-9(7)16(19)20)5-8-2-3-10(21-8)12(18)14-13/h2-4,6H,5,13H2,1H3,(H,14,18)
InChIKeyYTVYHAOGGRHWDD-UHFFFAOYSA-N
MW292.25 g/mol
LogP0.31
Rot. Bonds4

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

5-[(4-methyl-5-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide (PubChem CID 79351546) has the molecular formula C12H12N4O5 and a molecular weight of 292.25 g/mol. Its IUPAC name is 5-[(4-methyl-5-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(4-methyl-5-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
PubChem CID79351546
Molecular FormulaC12H12N4O5
Molecular Weight292.25 g/mol
Exact Mass292.08
IUPAC Name5-[(4-methyl-5-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
SMILESCc1cc(=O)n(Cc2ccc(C(=O)NN)o2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H12N4O5/c1-7-4-11(17)15(6-9(7)16(19)20)5-8-2-3-10(21-8)12(18)14-13/h2-4,6H,5,13H2,1H3,(H,14,18)
InChIKeyYTVYHAOGGRHWDD-UHFFFAOYSA-N
XLogP0.31
TPSA133.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[(3-bromo-5-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
CID 104506056
1-[(2-hydrazinyl-4-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-one
CID 79355238
1-[(6-amino-3-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-one
CID 79355034
5-[(3-methylindol-1-yl)methyl]furan-2-carbohydrazide
CID 63577239
5-[(5-nitro-2,4-dioxopyrimidin-1-yl)methyl]furan-2-carboxylic acid
CID 63799571
5-(aminomethyl)-N-(2,4-dimethyl-5-nitrophenyl)furan-2-carboxamide
CID 104757744
1-[(2-hydrazinyl-3-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-one
CID 79355556
1-(4-hydroxybutyl)-4-methyl-5-nitropyridin-2-one
CID 79356265
5-[(2-methyl-3-nitrophenoxy)methyl]furan-2-carbohydrazide
CID 63568555
5-[(2-oxo-3-propylimidazol-1-yl)methyl]furan-2-carbohydrazide
CID 80582724
3-(4-methyl-5-nitro-2-oxo-1-pyridinyl)propanethioamide
CID 82147264
5-[(2-oxo-1,3-thiazol-3-yl)methyl]furan-2-carbohydrazide
CID 63578720

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-5-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide?
The IUPAC name of 5-[(4-methyl-5-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide (CID 79351546) is 5-[(4-methyl-5-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[(4-methyl-5-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[(4-methyl-5-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide is Cc1cc(=O)n(Cc2ccc(C(=O)NN)o2)cc1[N+](=O)[O-].
What is the InChIKey of 5-[(4-methyl-5-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide?
The InChIKey is YTVYHAOGGRHWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O5/c1-7-4-11(17)15(6-9(7)16(19)20)5-8-2-3-10(21-8)12(18)14-13/h2-4,6H,5,13H2,1H3,(H,14,18).
What are the key properties of 5-[(4-methyl-5-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide?
5-[(4-methyl-5-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide has a molecular weight of 292.25 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyl-5-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 79351546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).