N'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]-2-methylbenzohydrazide

C24H21N7O3 — CID 22530676

IUPACN'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]-2-methylbenzohydrazide
SMILESCc1ccccc1C(=O)NNc1ncnc(NN(c2ccccc2)c2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C24H21N7O3/c1-17-10-8-9-15-20(17)24(32)28-27-22-21(31(33)34)23(26-16-25-22)29-30(18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-16H,1H3,(H,28,32)(H2,25,26,27,29)
InChIKeyVVZCQLFHTXBHFQ-UHFFFAOYSA-N
MW455.48 g/mol
LogP4.62
Rot. Bonds8

About N'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]-2-methylbenzohydrazide

N'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]-2-methylbenzohydrazide (PubChem CID 22530676) has the molecular formula C24H21N7O3 and a molecular weight of 455.48 g/mol. Its IUPAC name is N'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]-2-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]-2-methylbenzohydrazide
PubChem CID22530676
Molecular FormulaC24H21N7O3
Molecular Weight455.48 g/mol
Exact Mass455.17
IUPAC NameN'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]-2-methylbenzohydrazide
SMILESCc1ccccc1C(=O)NNc1ncnc(NN(c2ccccc2)c2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C24H21N7O3/c1-17-10-8-9-15-20(17)24(32)28-27-22-21(31(33)34)23(26-16-25-22)29-30(18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-16H,1H3,(H,28,32)(H2,25,26,27,29)
InChIKeyVVZCQLFHTXBHFQ-UHFFFAOYSA-N
XLogP4.62
TPSA125.32 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.48
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

2-methyl-N'-[5-nitro-6-[2-(2-nitrobenzoyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 22535258
N'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]-4-nitrobenzohydrazide
CID 22530681
N'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide
CID 22530692
N'-[6-(2,4-dimethylanilino)-5-nitropyrimidin-4-yl]-2-methylbenzohydrazide
CID 23495456
4-[[6-[2-(2-methylbenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]amino]benzoic acid
CID 22535327
N'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide
CID 22530685
N'-[6-(2-methylanilino)-5-nitropyrimidin-4-yl]-2-nitrobenzohydrazide
CID 22531933
2-methyl-N'-[5-nitro-6-[2-[2-(4-nitrophenyl)acetyl]hydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 22535274
2-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine
CID 22528078
N'-[6-(3-chloroanilino)-5-nitropyrimidin-4-yl]-2-methylbenzohydrazide
CID 22532517
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

Frequently Asked Questions

What is the IUPAC name of N'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]-2-methylbenzohydrazide?
The IUPAC name of N'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]-2-methylbenzohydrazide (CID 22530676) is N'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]-2-methylbenzohydrazide.
What is the SMILES notation for N'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]-2-methylbenzohydrazide?
The canonical SMILES for N'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]-2-methylbenzohydrazide is Cc1ccccc1C(=O)NNc1ncnc(NN(c2ccccc2)c2ccccc2)c1[N+](=O)[O-].
What is the InChIKey of N'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]-2-methylbenzohydrazide?
The InChIKey is VVZCQLFHTXBHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O3/c1-17-10-8-9-15-20(17)24(32)28-27-22-21(31(33)34)23(26-16-25-22)29-30(18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-16H,1H3,(H,28,32)(H2,25,26,27,29).
What are the key properties of N'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]-2-methylbenzohydrazide?
N'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]-2-methylbenzohydrazide has a molecular weight of 455.48 g/mol, XLogP of 4.62, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]-2-methylbenzohydrazide is sourced from PubChem (CID 22530676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).