N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)pyridine-3-carbohydrazide

C20H14N6O4 — CID 23482274

IUPACN'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)pyridine-3-carbohydrazide
SMILESO=C(NNc1ncnc(Oc2ccc3ccccc3c2)c1[N+](=O)[O-])c1cccnc1
InChIInChI=1S/C20H14N6O4/c27-19(15-6-3-9-21-11-15)25-24-18-17(26(28)29)20(23-12-22-18)30-16-8-7-13-4-1-2-5-14(13)10-16/h1-12H,(H,25,27)(H,22,23,24)
InChIKeyUVOPUKWRUXQJEV-UHFFFAOYSA-N
MW402.37 g/mol
LogP3.48
Rot. Bonds6

About N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)pyridine-3-carbohydrazide

N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)pyridine-3-carbohydrazide (PubChem CID 23482274) has the molecular formula C20H14N6O4 and a molecular weight of 402.37 g/mol. Its IUPAC name is N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)pyridine-3-carbohydrazide
PubChem CID23482274
Molecular FormulaC20H14N6O4
Molecular Weight402.37 g/mol
Exact Mass402.11
IUPAC NameN'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)pyridine-3-carbohydrazide
SMILESO=C(NNc1ncnc(Oc2ccc3ccccc3c2)c1[N+](=O)[O-])c1cccnc1
InChIInChI=1S/C20H14N6O4/c27-19(15-6-3-9-21-11-15)25-24-18-17(26(28)29)20(23-12-22-18)30-16-8-7-13-4-1-2-5-14(13)10-16/h1-12H,(H,25,27)(H,22,23,24)
InChIKeyUVOPUKWRUXQJEV-UHFFFAOYSA-N
XLogP3.48
TPSA132.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.37
LogP ≤ 53.48
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-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)naphthalene-1-carbohydrazide
CID 23482270
N'-(5-nitro-6-phenoxypyrimidin-4-yl)pyridine-4-carbohydrazide
CID 22536554
N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)-2,2-diphenylacetohydrazide
CID 23482279
N'-[6-(3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]benzohydrazide
CID 23479243
N'-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)-2-phenoxyacetohydrazide
CID 22537114
N'-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)benzohydrazide
CID 23493849
N'-[6-[2-(2-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
CID 22535775
3-chloro-N'-[6-(3,4-dimethylphenoxy)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22536228
N'-[6-[2-(4-chloro-3-nitrobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
CID 22536247
N'-[5-nitro-6-(propylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 23487391
N'-[6-[(6-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
CID 23480909
N-(5-chloro-2-pyridinyl)-6-naphthalen-2-yloxy-5-nitropyrimidin-4-amine
CID 23482219

Frequently Asked Questions

What is the IUPAC name of N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)pyridine-3-carbohydrazide?
The IUPAC name of N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)pyridine-3-carbohydrazide (CID 23482274) is N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)pyridine-3-carbohydrazide.
What is the SMILES notation for N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)pyridine-3-carbohydrazide?
The canonical SMILES for N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)pyridine-3-carbohydrazide is O=C(NNc1ncnc(Oc2ccc3ccccc3c2)c1[N+](=O)[O-])c1cccnc1.
What is the InChIKey of N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)pyridine-3-carbohydrazide?
The InChIKey is UVOPUKWRUXQJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6O4/c27-19(15-6-3-9-21-11-15)25-24-18-17(26(28)29)20(23-12-22-18)30-16-8-7-13-4-1-2-5-14(13)10-16/h1-12H,(H,25,27)(H,22,23,24).
What are the key properties of N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)pyridine-3-carbohydrazide?
N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)pyridine-3-carbohydrazide has a molecular weight of 402.37 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)pyridine-3-carbohydrazide is sourced from PubChem (CID 23482274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).