N'-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)-2-phenoxyacetohydrazide

C17H14N6O5 — CID 22537114

IUPACN'-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)-2-phenoxyacetohydrazide
SMILESO=C(COc1ccccc1)NNc1ncnc(Oc2cccnc2)c1[N+](=O)[O-]
InChIInChI=1S/C17H14N6O5/c24-14(10-27-12-5-2-1-3-6-12)21-22-16-15(23(25)26)17(20-11-19-16)28-13-7-4-8-18-9-13/h1-9,11H,10H2,(H,21,24)(H,19,20,22)
InChIKeyNRIYJLIJKNDVLR-UHFFFAOYSA-N
MW382.34 g/mol
LogP2.09
Rot. Bonds8

About N'-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)-2-phenoxyacetohydrazide

N'-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)-2-phenoxyacetohydrazide (PubChem CID 22537114) has the molecular formula C17H14N6O5 and a molecular weight of 382.34 g/mol. Its IUPAC name is N'-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)-2-phenoxyacetohydrazide.

Molecular Properties

Compound NameN'-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)-2-phenoxyacetohydrazide
PubChem CID22537114
Molecular FormulaC17H14N6O5
Molecular Weight382.34 g/mol
Exact Mass382.10
IUPAC NameN'-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)-2-phenoxyacetohydrazide
SMILESO=C(COc1ccccc1)NNc1ncnc(Oc2cccnc2)c1[N+](=O)[O-]
InChIInChI=1S/C17H14N6O5/c24-14(10-27-12-5-2-1-3-6-12)21-22-16-15(23(25)26)17(20-11-19-16)28-13-7-4-8-18-9-13/h1-9,11H,10H2,(H,21,24)(H,19,20,22)
InChIKeyNRIYJLIJKNDVLR-UHFFFAOYSA-N
XLogP2.09
TPSA141.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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'-(5-nitro-6-phenoxypyrimidin-4-yl)pyridine-4-carbohydrazide
CID 22536554
N'-[6-[(2-chloro-3-pyridinyl)amino]-5-nitropyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22537149
N'-[5-nitro-6-(propan-2-ylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 23487598
N-(2-bromophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
CID 22532209
N'-[5-nitro-6-(propylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 23487398
N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)pyridine-3-carbohydrazide
CID 23482274
5-nitro-N-(4-phenyldiazenylphenyl)-6-pyridin-3-yloxypyrimidin-4-amine
CID 22529109
N'-[6-(4-methoxyphenoxy)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide
CID 22537087
4-nitro-N'-[5-nitro-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 22535699
N'-[6-(2-fluoroanilino)-5-nitropyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22527721
N-(3,5-dimethylphenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
CID 23479525
N'-[6-(2-ethylanilino)-5-nitropyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 23482730

Frequently Asked Questions

What is the IUPAC name of N'-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)-2-phenoxyacetohydrazide?
The IUPAC name of N'-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)-2-phenoxyacetohydrazide (CID 22537114) is N'-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)-2-phenoxyacetohydrazide.
What is the SMILES notation for N'-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)-2-phenoxyacetohydrazide?
The canonical SMILES for N'-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)-2-phenoxyacetohydrazide is O=C(COc1ccccc1)NNc1ncnc(Oc2cccnc2)c1[N+](=O)[O-].
What is the InChIKey of N'-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)-2-phenoxyacetohydrazide?
The InChIKey is NRIYJLIJKNDVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O5/c24-14(10-27-12-5-2-1-3-6-12)21-22-16-15(23(25)26)17(20-11-19-16)28-13-7-4-8-18-9-13/h1-9,11H,10H2,(H,21,24)(H,19,20,22).
What are the key properties of N'-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)-2-phenoxyacetohydrazide?
N'-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)-2-phenoxyacetohydrazide has a molecular weight of 382.34 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)-2-phenoxyacetohydrazide is sourced from PubChem (CID 22537114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).