N'-[6-(4-methoxyphenoxy)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide

C19H17N5O5 — CID 22537087

IUPACN'-[6-(4-methoxyphenoxy)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide
SMILESCOc1ccc(Oc2ncnc(NNC(=O)Cc3ccccc3)c2[N+](=O)[O-])cc1
InChIInChI=1S/C19H17N5O5/c1-28-14-7-9-15(10-8-14)29-19-17(24(26)27)18(20-12-21-19)23-22-16(25)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,22,25)(H,20,21,23)
InChIKeyWCIFOPNLLMYNHD-UHFFFAOYSA-N
MW395.38 g/mol
LogP2.87
Rot. Bonds8

About N'-[6-(4-methoxyphenoxy)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide

N'-[6-(4-methoxyphenoxy)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide (PubChem CID 22537087) has the molecular formula C19H17N5O5 and a molecular weight of 395.38 g/mol. Its IUPAC name is N'-[6-(4-methoxyphenoxy)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide.

Molecular Properties

Compound NameN'-[6-(4-methoxyphenoxy)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide
PubChem CID22537087
Molecular FormulaC19H17N5O5
Molecular Weight395.38 g/mol
Exact Mass395.12
IUPAC NameN'-[6-(4-methoxyphenoxy)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide
SMILESCOc1ccc(Oc2ncnc(NNC(=O)Cc3ccccc3)c2[N+](=O)[O-])cc1
InChIInChI=1S/C19H17N5O5/c1-28-14-7-9-15(10-8-14)29-19-17(24(26)27)18(20-12-21-19)23-22-16(25)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,22,25)(H,20,21,23)
InChIKeyWCIFOPNLLMYNHD-UHFFFAOYSA-N
XLogP2.87
TPSA128.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 52.87
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-(4-methoxyphenoxy)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22536818
N'-[5-amino-6-(4-methoxyphenoxy)pyrimidin-4-yl]-2-phenylacetohydrazide
CID 19152290
N'-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide
CID 23490913
N'-[6-(4-ethylphenoxy)-5-nitropyrimidin-4-yl]-4-methoxybenzohydrazide
CID 22536525
N'-[6-(3-methoxyanilino)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide
CID 23482505
2-methoxy-N'-[5-nitro-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 22536099
N'-[6-(4-ethylphenoxy)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22537013
N'-[6-(4-methylphenoxy)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22536768
N'-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)-2-phenoxyacetohydrazide
CID 22537114
N'-[6-(4-methylphenoxy)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22536971
N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide
CID 23488780
N'-[5-amino-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151751

Frequently Asked Questions

What is the IUPAC name of N'-[6-(4-methoxyphenoxy)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide?
The IUPAC name of N'-[6-(4-methoxyphenoxy)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide (CID 22537087) is N'-[6-(4-methoxyphenoxy)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide.
What is the SMILES notation for N'-[6-(4-methoxyphenoxy)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide?
The canonical SMILES for N'-[6-(4-methoxyphenoxy)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide is COc1ccc(Oc2ncnc(NNC(=O)Cc3ccccc3)c2[N+](=O)[O-])cc1.
What is the InChIKey of N'-[6-(4-methoxyphenoxy)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide?
The InChIKey is WCIFOPNLLMYNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O5/c1-28-14-7-9-15(10-8-14)29-19-17(24(26)27)18(20-12-21-19)23-22-16(25)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,22,25)(H,20,21,23).
What are the key properties of N'-[6-(4-methoxyphenoxy)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide?
N'-[6-(4-methoxyphenoxy)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide has a molecular weight of 395.38 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(4-methoxyphenoxy)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide is sourced from PubChem (CID 22537087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).