N'-(5-nitro-6-phenoxypyrimidin-4-yl)pyridine-4-carbohydrazide

C16H12N6O4 — CID 22536554

IUPACN'-(5-nitro-6-phenoxypyrimidin-4-yl)pyridine-4-carbohydrazide
SMILESO=C(NNc1ncnc(Oc2ccccc2)c1[N+](=O)[O-])c1ccncc1
InChIInChI=1S/C16H12N6O4/c23-15(11-6-8-17-9-7-11)21-20-14-13(22(24)25)16(19-10-18-14)26-12-4-2-1-3-5-12/h1-10H,(H,21,23)(H,18,19,20)
InChIKeyUCAWQTAFCNFBSW-UHFFFAOYSA-N
MW352.31 g/mol
LogP2.33
Rot. Bonds6

About N'-(5-nitro-6-phenoxypyrimidin-4-yl)pyridine-4-carbohydrazide

N'-(5-nitro-6-phenoxypyrimidin-4-yl)pyridine-4-carbohydrazide (PubChem CID 22536554) has the molecular formula C16H12N6O4 and a molecular weight of 352.31 g/mol. Its IUPAC name is N'-(5-nitro-6-phenoxypyrimidin-4-yl)pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(5-nitro-6-phenoxypyrimidin-4-yl)pyridine-4-carbohydrazide
PubChem CID22536554
Molecular FormulaC16H12N6O4
Molecular Weight352.31 g/mol
Exact Mass352.09
IUPAC NameN'-(5-nitro-6-phenoxypyrimidin-4-yl)pyridine-4-carbohydrazide
SMILESO=C(NNc1ncnc(Oc2ccccc2)c1[N+](=O)[O-])c1ccncc1
InChIInChI=1S/C16H12N6O4/c23-15(11-6-8-17-9-7-11)21-20-14-13(22(24)25)16(19-10-18-14)26-12-4-2-1-3-5-12/h1-10H,(H,21,23)(H,18,19,20)
InChIKeyUCAWQTAFCNFBSW-UHFFFAOYSA-N
XLogP2.33
TPSA132.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 52.33
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-(3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]benzohydrazide
CID 23479243
N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)pyridine-3-carbohydrazide
CID 23482274
N'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide
CID 22530692
N'-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)-2-phenoxyacetohydrazide
CID 22537114
N'-[6-(4-bromophenoxy)-5-nitropyrimidin-4-yl]-4-chlorobenzohydrazide
CID 22535422
N'-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)benzohydrazide
CID 23493849
methyl 4-[6-[2-(4-chlorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]oxybenzoate
CID 23483374
N'-[6-[2-(2-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide
CID 22535774
N'-[6-(4-ethylphenoxy)-5-nitropyrimidin-4-yl]-4-methoxybenzohydrazide
CID 22536525
4-fluoro-N'-[6-(2-methoxyphenoxy)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22535593
4-bromo-N'-[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]benzohydrazide
CID 22535497
4-chloro-N'-[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]benzohydrazide
CID 22535410

Frequently Asked Questions

What is the IUPAC name of N'-(5-nitro-6-phenoxypyrimidin-4-yl)pyridine-4-carbohydrazide?
The IUPAC name of N'-(5-nitro-6-phenoxypyrimidin-4-yl)pyridine-4-carbohydrazide (CID 22536554) is N'-(5-nitro-6-phenoxypyrimidin-4-yl)pyridine-4-carbohydrazide.
What is the SMILES notation for N'-(5-nitro-6-phenoxypyrimidin-4-yl)pyridine-4-carbohydrazide?
The canonical SMILES for N'-(5-nitro-6-phenoxypyrimidin-4-yl)pyridine-4-carbohydrazide is O=C(NNc1ncnc(Oc2ccccc2)c1[N+](=O)[O-])c1ccncc1.
What is the InChIKey of N'-(5-nitro-6-phenoxypyrimidin-4-yl)pyridine-4-carbohydrazide?
The InChIKey is UCAWQTAFCNFBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O4/c23-15(11-6-8-17-9-7-11)21-20-14-13(22(24)25)16(19-10-18-14)26-12-4-2-1-3-5-12/h1-10H,(H,21,23)(H,18,19,20).
What are the key properties of N'-(5-nitro-6-phenoxypyrimidin-4-yl)pyridine-4-carbohydrazide?
N'-(5-nitro-6-phenoxypyrimidin-4-yl)pyridine-4-carbohydrazide has a molecular weight of 352.31 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-nitro-6-phenoxypyrimidin-4-yl)pyridine-4-carbohydrazide is sourced from PubChem (CID 22536554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).