N'-[6-(dibenzylamino)-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide

C26H24N6O4 — CID 23488376

IUPACN'-[6-(dibenzylamino)-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide
SMILESCOc1ccccc1C(=O)NNc1ncnc(N(Cc2ccccc2)Cc2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C26H24N6O4/c1-36-22-15-9-8-14-21(22)26(33)30-29-24-23(32(34)35)25(28-18-27-24)31(16-19-10-4-2-5-11-19)17-20-12-6-3-7-13-20/h2-15,18H,16-17H2,1H3,(H,30,33)(H,27,28,29)
InChIKeyJBPCPACGCRKZJH-UHFFFAOYSA-N
MW484.52 g/mol
LogP4.36
Rot. Bonds10

About N'-[6-(dibenzylamino)-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide

N'-[6-(dibenzylamino)-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide (PubChem CID 23488376) has the molecular formula C26H24N6O4 and a molecular weight of 484.52 g/mol. Its IUPAC name is N'-[6-(dibenzylamino)-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[6-(dibenzylamino)-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide
PubChem CID23488376
Molecular FormulaC26H24N6O4
Molecular Weight484.52 g/mol
Exact Mass484.19
IUPAC NameN'-[6-(dibenzylamino)-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide
SMILESCOc1ccccc1C(=O)NNc1ncnc(N(Cc2ccccc2)Cc2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C26H24N6O4/c1-36-22-15-9-8-14-21(22)26(33)30-29-24-23(32(34)35)25(28-18-27-24)31(16-19-10-4-2-5-11-19)17-20-12-6-3-7-13-20/h2-15,18H,16-17H2,1H3,(H,30,33)(H,27,28,29)
InChIKeyJBPCPACGCRKZJH-UHFFFAOYSA-N
XLogP4.36
TPSA122.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.52
LogP ≤ 54.36
H-Bond Donors ≤ 52
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

N'-[6-[benzyl(pyridin-2-yl)amino]-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide
CID 22536122
2-methoxy-N'-[5-nitro-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 22536099
2-methoxy-N'-[5-nitro-6-(2-phenylethylamino)pyrimidin-4-yl]benzohydrazide
CID 23489984
2-methoxy-N'-[6-[(4-methylphenyl)methylamino]-5-nitropyrimidin-4-yl]benzohydrazide
CID 22534624
2-methoxy-N'-[5-nitro-6-[2-[2-(4-nitrophenyl)acetyl]hydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 22536096
N'-[6-(4-ethylanilino)-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide
CID 23482939
N'-(6-hydrazinyl-5-nitropyrimidin-4-yl)-2-methoxybenzohydrazide
CID 22534718
N'-[6-(dibenzylamino)-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide
CID 23488375
3-chloro-N'-[6-(dibenzylamino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 23488377
N'-[6-[benzyl(methyl)amino]-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide
CID 23478055
N'-[6-(2,5-dimethoxyanilino)-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide
CID 23494833
4-N,4-N-dibenzyl-6-N-(5-chloro-2,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 23488409

Frequently Asked Questions

What is the IUPAC name of N'-[6-(dibenzylamino)-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide?
The IUPAC name of N'-[6-(dibenzylamino)-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide (CID 23488376) is N'-[6-(dibenzylamino)-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide.
What is the SMILES notation for N'-[6-(dibenzylamino)-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide?
The canonical SMILES for N'-[6-(dibenzylamino)-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide is COc1ccccc1C(=O)NNc1ncnc(N(Cc2ccccc2)Cc2ccccc2)c1[N+](=O)[O-].
What is the InChIKey of N'-[6-(dibenzylamino)-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide?
The InChIKey is JBPCPACGCRKZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O4/c1-36-22-15-9-8-14-21(22)26(33)30-29-24-23(32(34)35)25(28-18-27-24)31(16-19-10-4-2-5-11-19)17-20-12-6-3-7-13-20/h2-15,18H,16-17H2,1H3,(H,30,33)(H,27,28,29).
What are the key properties of N'-[6-(dibenzylamino)-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide?
N'-[6-(dibenzylamino)-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide has a molecular weight of 484.52 g/mol, XLogP of 4.36, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(dibenzylamino)-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide is sourced from PubChem (CID 23488376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).