N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)-2,2-diphenylacetohydrazide

C28H21N5O4 — CID 23482279

IUPACN'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)-2,2-diphenylacetohydrazide
SMILESO=C(NNc1ncnc(Oc2ccc3ccccc3c2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H21N5O4/c34-27(24(20-10-3-1-4-11-20)21-12-5-2-6-13-21)32-31-26-25(33(35)36)28(30-18-29-26)37-23-16-15-19-9-7-8-14-22(19)17-23/h1-18,24H,(H,32,34)(H,29,30,31)
InChIKeyDAVXJIGAWZCONU-UHFFFAOYSA-N
MW491.51 g/mol
LogP5.61
Rot. Bonds8

About N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)-2,2-diphenylacetohydrazide

N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)-2,2-diphenylacetohydrazide (PubChem CID 23482279) has the molecular formula C28H21N5O4 and a molecular weight of 491.51 g/mol. Its IUPAC name is N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)-2,2-diphenylacetohydrazide.

Molecular Properties

Compound NameN'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)-2,2-diphenylacetohydrazide
PubChem CID23482279
Molecular FormulaC28H21N5O4
Molecular Weight491.51 g/mol
Exact Mass491.16
IUPAC NameN'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)-2,2-diphenylacetohydrazide
SMILESO=C(NNc1ncnc(Oc2ccc3ccccc3c2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H21N5O4/c34-27(24(20-10-3-1-4-11-20)21-12-5-2-6-13-21)32-31-26-25(33(35)36)28(30-18-29-26)37-23-16-15-19-9-7-8-14-22(19)17-23/h1-18,24H,(H,32,34)(H,29,30,31)
InChIKeyDAVXJIGAWZCONU-UHFFFAOYSA-N
XLogP5.61
TPSA119.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.51
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(4-methylphenoxy)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22536971
N'-[6-(4-ethylphenoxy)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22537013
N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)naphthalene-1-carbohydrazide
CID 23482270
N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)pyridine-3-carbohydrazide
CID 23482274
N-benzyl-6-naphthalen-2-yloxy-5-nitropyrimidin-4-amine
CID 23482147
N'-[6-(2-methylanilino)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22531951
N'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22531084
N'-[6-(4-fluoroanilino)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22533315
N'-[6-(3,4-difluoroanilino)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22536999
N-(2,3-dimethylphenyl)-6-naphthalen-2-yloxy-5-nitropyrimidin-4-amine
CID 23482188
N'-[6-(4-methoxyphenoxy)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide
CID 22537087
N'-[6-[2-(2,2-diphenylacetyl)hydrazinyl]-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide
CID 22536019

Frequently Asked Questions

What is the IUPAC name of N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)-2,2-diphenylacetohydrazide?
The IUPAC name of N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)-2,2-diphenylacetohydrazide (CID 23482279) is N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)-2,2-diphenylacetohydrazide.
What is the SMILES notation for N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)-2,2-diphenylacetohydrazide?
The canonical SMILES for N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)-2,2-diphenylacetohydrazide is O=C(NNc1ncnc(Oc2ccc3ccccc3c2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1.
What is the InChIKey of N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)-2,2-diphenylacetohydrazide?
The InChIKey is DAVXJIGAWZCONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N5O4/c34-27(24(20-10-3-1-4-11-20)21-12-5-2-6-13-21)32-31-26-25(33(35)36)28(30-18-29-26)37-23-16-15-19-9-7-8-14-22(19)17-23/h1-18,24H,(H,32,34)(H,29,30,31).
What are the key properties of N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)-2,2-diphenylacetohydrazide?
N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)-2,2-diphenylacetohydrazide has a molecular weight of 491.51 g/mol, XLogP of 5.61, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)-2,2-diphenylacetohydrazide is sourced from PubChem (CID 23482279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).