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

C12H12N4O4S — CID 80733848

IUPAC5-methyl-4-[(3-nitro-2-oxo-1-pyridinyl)methyl]thiophene-2-carbohydrazide
SMILESCc1sc(C(=O)NN)cc1Cn1cccc([N+](=O)[O-])c1=O
InChIInChI=1S/C12H12N4O4S/c1-7-8(5-10(21-7)11(17)14-13)6-15-4-2-3-9(12(15)18)16(19)20/h2-5H,6,13H2,1H3,(H,14,17)
InChIKeyZEQYZDNEESIZSZ-UHFFFAOYSA-N
MW308.32 g/mol
LogP0.78
Rot. Bonds4

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

5-methyl-4-[(3-nitro-2-oxo-1-pyridinyl)methyl]thiophene-2-carbohydrazide (PubChem CID 80733848) has the molecular formula C12H12N4O4S and a molecular weight of 308.32 g/mol. Its IUPAC name is 5-methyl-4-[(3-nitro-2-oxo-1-pyridinyl)methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-methyl-4-[(3-nitro-2-oxo-1-pyridinyl)methyl]thiophene-2-carbohydrazide
PubChem CID80733848
Molecular FormulaC12H12N4O4S
Molecular Weight308.32 g/mol
Exact Mass308.06
IUPAC Name5-methyl-4-[(3-nitro-2-oxo-1-pyridinyl)methyl]thiophene-2-carbohydrazide
SMILESCc1sc(C(=O)NN)cc1Cn1cccc([N+](=O)[O-])c1=O
InChIInChI=1S/C12H12N4O4S/c1-7-8(5-10(21-7)11(17)14-13)6-15-4-2-3-9(12(15)18)16(19)20/h2-5H,6,13H2,1H3,(H,14,17)
InChIKeyZEQYZDNEESIZSZ-UHFFFAOYSA-N
XLogP0.78
TPSA120.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 50.78
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

4-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
CID 80745255
4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
CID 80745244
4-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
CID 80733693
5-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide
CID 80733692
methyl 4-chloro-3-[(3-nitro-2-oxo-1-pyridinyl)methyl]benzoate
CID 75519039
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
CID 80733660
ethyl 3-(3-nitro-2-oxo-1-pyridinyl)propanoate
CID 62100471
5-methyl-4-[(4-nitrophenyl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 80733625
4-ethyl-5-methyl-N-[2-(2-nitroanilino)ethyl]thiophene-2-carboxamide
CID 9278788
1-[(2-chlorophenyl)methyl]-3-nitropyridin-2-one
CID 714064
3-[(3-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carboxylic acid
CID 55035431
methyl 3-methyl-5-[(3-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carboxylate
CID 71976905

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(3-nitro-2-oxo-1-pyridinyl)methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-methyl-4-[(3-nitro-2-oxo-1-pyridinyl)methyl]thiophene-2-carbohydrazide (CID 80733848) is 5-methyl-4-[(3-nitro-2-oxo-1-pyridinyl)methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-methyl-4-[(3-nitro-2-oxo-1-pyridinyl)methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-methyl-4-[(3-nitro-2-oxo-1-pyridinyl)methyl]thiophene-2-carbohydrazide is Cc1sc(C(=O)NN)cc1Cn1cccc([N+](=O)[O-])c1=O.
What is the InChIKey of 5-methyl-4-[(3-nitro-2-oxo-1-pyridinyl)methyl]thiophene-2-carbohydrazide?
The InChIKey is ZEQYZDNEESIZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O4S/c1-7-8(5-10(21-7)11(17)14-13)6-15-4-2-3-9(12(15)18)16(19)20/h2-5H,6,13H2,1H3,(H,14,17).
What are the key properties of 5-methyl-4-[(3-nitro-2-oxo-1-pyridinyl)methyl]thiophene-2-carbohydrazide?
5-methyl-4-[(3-nitro-2-oxo-1-pyridinyl)methyl]thiophene-2-carbohydrazide has a molecular weight of 308.32 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(3-nitro-2-oxo-1-pyridinyl)methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 80733848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).