N'-(4,6-dimethylpyrimidin-2-yl)-4-naphthalen-1-yloxybutanehydrazide

C20H22N4O2 — CID 46472167

IUPACN'-(4,6-dimethylpyrimidin-2-yl)-4-naphthalen-1-yloxybutanehydrazide
SMILESCc1cc(C)nc(NNC(=O)CCCOc2cccc3ccccc23)n1
InChIInChI=1S/C20H22N4O2/c1-14-13-15(2)22-20(21-14)24-23-19(25)11-6-12-26-18-10-5-8-16-7-3-4-9-17(16)18/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyYYWAOCKDYLPIGC-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.55
Rot. Bonds7

About N'-(4,6-dimethylpyrimidin-2-yl)-4-naphthalen-1-yloxybutanehydrazide

N'-(4,6-dimethylpyrimidin-2-yl)-4-naphthalen-1-yloxybutanehydrazide (PubChem CID 46472167) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N'-(4,6-dimethylpyrimidin-2-yl)-4-naphthalen-1-yloxybutanehydrazide.

Molecular Properties

Compound NameN'-(4,6-dimethylpyrimidin-2-yl)-4-naphthalen-1-yloxybutanehydrazide
PubChem CID46472167
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN'-(4,6-dimethylpyrimidin-2-yl)-4-naphthalen-1-yloxybutanehydrazide
SMILESCc1cc(C)nc(NNC(=O)CCCOc2cccc3ccccc23)n1
InChIInChI=1S/C20H22N4O2/c1-14-13-15(2)22-20(21-14)24-23-19(25)11-6-12-26-18-10-5-8-16-7-3-4-9-17(16)18/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyYYWAOCKDYLPIGC-UHFFFAOYSA-N
XLogP3.55
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4,6-dimethylpyrimidin-2-yl)-4-phenoxybutanehydrazide
CID 30131742
6-naphthalen-1-yloxyhex-1-en-3-one
CID 134187093
(2S)-2-(4-naphthalen-1-yloxybutanoylamino)propanoic acid
CID 119238607
N-[3-(carbamoylamino)phenyl]-4-naphthalen-1-yloxybutanamide
CID 55706773
N,N-dimethyl-4-naphthalen-1-yloxybutanamide
CID 60769263
N-[(2-ethoxy-4-pyridinyl)methyl]-4-naphthalen-1-yloxybutanamide
CID 55707854
N'-(4,6-dimethylpyrimidin-2-yl)-2-(4-phenoxyphenoxy)acetohydrazide
CID 26122198
N-[[4-(dimethylamino)phenyl]methyl]-4-naphthalen-1-yloxybutanamide
CID 46469275
N-[1-(3-acetamidophenyl)ethyl]-4-naphthalen-1-yloxybutanamide
CID 55710931
N',N'-dimethyl-3-naphthalen-1-yloxypropanehydrazide
CID 116820813
N-methyl-3-naphthalen-1-yloxypropan-1-amine;oxalic acid
CID 2949357
ethyl 2-(6-naphthalen-1-yloxyhexanoylamino)acetate
CID 122182969

Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-4-naphthalen-1-yloxybutanehydrazide?
The IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-4-naphthalen-1-yloxybutanehydrazide (CID 46472167) is N'-(4,6-dimethylpyrimidin-2-yl)-4-naphthalen-1-yloxybutanehydrazide.
What is the SMILES notation for N'-(4,6-dimethylpyrimidin-2-yl)-4-naphthalen-1-yloxybutanehydrazide?
The canonical SMILES for N'-(4,6-dimethylpyrimidin-2-yl)-4-naphthalen-1-yloxybutanehydrazide is Cc1cc(C)nc(NNC(=O)CCCOc2cccc3ccccc23)n1.
What is the InChIKey of N'-(4,6-dimethylpyrimidin-2-yl)-4-naphthalen-1-yloxybutanehydrazide?
The InChIKey is YYWAOCKDYLPIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14-13-15(2)22-20(21-14)24-23-19(25)11-6-12-26-18-10-5-8-16-7-3-4-9-17(16)18/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of N'-(4,6-dimethylpyrimidin-2-yl)-4-naphthalen-1-yloxybutanehydrazide?
N'-(4,6-dimethylpyrimidin-2-yl)-4-naphthalen-1-yloxybutanehydrazide has a molecular weight of 350.42 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimethylpyrimidin-2-yl)-4-naphthalen-1-yloxybutanehydrazide is sourced from PubChem (CID 46472167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).