2-methyl-N'-[5-nitro-6-[2-(2-nitrobenzoyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide

C19H16N8O6 — CID 22535258

IUPAC2-methyl-N'-[5-nitro-6-[2-(2-nitrobenzoyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide
SMILESCc1ccccc1C(=O)NNc1ncnc(NNC(=O)c2ccccc2[N+](=O)[O-])c1[N+](=O)[O-]
InChIInChI=1S/C19H16N8O6/c1-11-6-2-3-7-12(11)18(28)24-22-16-15(27(32)33)17(21-10-20-16)23-25-19(29)13-8-4-5-9-14(13)26(30)31/h2-10H,1H3,(H,24,28)(H,25,29)(H2,20,21,22,23)
InChIKeyZHEYBCOJQPCXGK-UHFFFAOYSA-N
MW452.39 g/mol
LogP2.12
Rot. Bonds8

About 2-methyl-N'-[5-nitro-6-[2-(2-nitrobenzoyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide

2-methyl-N'-[5-nitro-6-[2-(2-nitrobenzoyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide (PubChem CID 22535258) has the molecular formula C19H16N8O6 and a molecular weight of 452.39 g/mol. Its IUPAC name is 2-methyl-N'-[5-nitro-6-[2-(2-nitrobenzoyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide.

Molecular Properties

Compound Name2-methyl-N'-[5-nitro-6-[2-(2-nitrobenzoyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide
PubChem CID22535258
Molecular FormulaC19H16N8O6
Molecular Weight452.39 g/mol
Exact Mass452.12
IUPAC Name2-methyl-N'-[5-nitro-6-[2-(2-nitrobenzoyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide
SMILESCc1ccccc1C(=O)NNc1ncnc(NNC(=O)c2ccccc2[N+](=O)[O-])c1[N+](=O)[O-]
InChIInChI=1S/C19H16N8O6/c1-11-6-2-3-7-12(11)18(28)24-22-16-15(27(32)33)17(21-10-20-16)23-25-19(29)13-8-4-5-9-14(13)26(30)31/h2-10H,1H3,(H,24,28)(H,25,29)(H2,20,21,22,23)
InChIKeyZHEYBCOJQPCXGK-UHFFFAOYSA-N
XLogP2.12
TPSA194.32 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.39
LogP ≤ 52.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

N'-[6-(2-methylanilino)-5-nitropyrimidin-4-yl]-2-nitrobenzohydrazide
CID 22531933
N'-[6-(2,4-dimethylanilino)-5-nitropyrimidin-4-yl]-2-methylbenzohydrazide
CID 23495456
N'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]-2-methylbenzohydrazide
CID 22530676
4-[[6-[2-(2-methylbenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]amino]benzoic acid
CID 22535327
2-methyl-N'-[5-nitro-6-[2-[2-(4-nitrophenyl)acetyl]hydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 22535274
N'-[6-(3-chloroanilino)-5-nitropyrimidin-4-yl]-2-methylbenzohydrazide
CID 22532517
ethyl 4-[[5-nitro-6-[2-(2-nitrobenzoyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate
CID 22528939
N'-[6-(4-ethoxyanilino)-5-nitropyrimidin-4-yl]-2-methylbenzohydrazide
CID 22533507
2-methyl-N'-[6-[(6-methyl-1,3-benzothiazol-2-yl)amino]-5-nitropyrimidin-4-yl]benzohydrazide
CID 22534423
N'-[6-(1,3-benzothiazol-2-ylamino)-5-nitropyrimidin-4-yl]-2-nitrobenzohydrazide
CID 22528538
N'-[6-(N-ethylanilino)-5-nitropyrimidin-4-yl]-2-nitrobenzohydrazide
CID 23478289
2-methyl-N'-[5-nitro-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]benzohydrazide
CID 22526079

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[5-nitro-6-[2-(2-nitrobenzoyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide?
The IUPAC name of 2-methyl-N'-[5-nitro-6-[2-(2-nitrobenzoyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide (CID 22535258) is 2-methyl-N'-[5-nitro-6-[2-(2-nitrobenzoyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide.
What is the SMILES notation for 2-methyl-N'-[5-nitro-6-[2-(2-nitrobenzoyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide?
The canonical SMILES for 2-methyl-N'-[5-nitro-6-[2-(2-nitrobenzoyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide is Cc1ccccc1C(=O)NNc1ncnc(NNC(=O)c2ccccc2[N+](=O)[O-])c1[N+](=O)[O-].
What is the InChIKey of 2-methyl-N'-[5-nitro-6-[2-(2-nitrobenzoyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide?
The InChIKey is ZHEYBCOJQPCXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N8O6/c1-11-6-2-3-7-12(11)18(28)24-22-16-15(27(32)33)17(21-10-20-16)23-25-19(29)13-8-4-5-9-14(13)26(30)31/h2-10H,1H3,(H,24,28)(H,25,29)(H2,20,21,22,23).
What are the key properties of 2-methyl-N'-[5-nitro-6-[2-(2-nitrobenzoyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide?
2-methyl-N'-[5-nitro-6-[2-(2-nitrobenzoyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide has a molecular weight of 452.39 g/mol, XLogP of 2.12, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[5-nitro-6-[2-(2-nitrobenzoyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide is sourced from PubChem (CID 22535258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).