[3-[4-[2-[4-[[6-(hydrazinecarbonyl)-2-pyridinyl]methoxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid

C27H30N4O5 — CID 174238783

IUPAC[3-[4-[2-[4-[[6-(hydrazinecarbonyl)-2-pyridinyl]methoxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid
SMILESCC(C)(c1ccc(OCc2cccc(C(=O)NN)n2)cc1)c1ccc(OC2CC(NC(=O)O)C2)cc1
InChIInChI=1S/C27H30N4O5/c1-27(2,18-8-12-22(13-9-18)36-23-14-20(15-23)30-26(33)34)17-6-10-21(11-7-17)35-16-19-4-3-5-24(29-19)25(32)31-28/h3-13,20,23,30H,14-16,28H2,1-2H3,(H,31,32)(H,33,34)
InChIKeyXIYYGJQEIMHZKQ-UHFFFAOYSA-N
MW490.56 g/mol
LogP3.77
Rot. Bonds9

About [3-[4-[2-[4-[[6-(hydrazinecarbonyl)-2-pyridinyl]methoxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid

[3-[4-[2-[4-[[6-(hydrazinecarbonyl)-2-pyridinyl]methoxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid (PubChem CID 174238783) has the molecular formula C27H30N4O5 and a molecular weight of 490.56 g/mol. Its IUPAC name is [3-[4-[2-[4-[[6-(hydrazinecarbonyl)-2-pyridinyl]methoxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid.

Molecular Properties

Compound Name[3-[4-[2-[4-[[6-(hydrazinecarbonyl)-2-pyridinyl]methoxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid
PubChem CID174238783
Molecular FormulaC27H30N4O5
Molecular Weight490.56 g/mol
Exact Mass490.22
IUPAC Name[3-[4-[2-[4-[[6-(hydrazinecarbonyl)-2-pyridinyl]methoxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid
SMILESCC(C)(c1ccc(OCc2cccc(C(=O)NN)n2)cc1)c1ccc(OC2CC(NC(=O)O)C2)cc1
InChIInChI=1S/C27H30N4O5/c1-27(2,18-8-12-22(13-9-18)36-23-14-20(15-23)30-26(33)34)17-6-10-21(11-7-17)35-16-19-4-3-5-24(29-19)25(32)31-28/h3-13,20,23,30H,14-16,28H2,1-2H3,(H,31,32)(H,33,34)
InChIKeyXIYYGJQEIMHZKQ-UHFFFAOYSA-N
XLogP3.77
TPSA135.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 53.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[3-[4-[2-[4-[(2-cyanopyrimidin-4-yl)methoxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid
CID 174239020
[3-[4-[2-[4-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid
CID 174238759
tert-butyl N-[3-[4-[2-[4-[[6-[cyclopropyl(hydroxy)methyl]-2-pyridinyl]methoxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamate
CID 176626151
[3-[4-[2-[4-[(6-bromo-3-pyridinyl)oxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid
CID 174238808
[3-[4-[2-[4-[6-(hydroxymethyl)pyridazin-3-yl]oxyphenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid
CID 174238957
[3-[4-[2-[4-(4-cyanopyrimidin-2-yl)oxyphenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid
CID 174238856
[3-[4-[2-[4-[[5-(3-hydrazinyl-2,3-dioxopropanoyl)-2-pyridinyl]oxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid
CID 174238819
6-[(3-fluoro-4-methylphenoxy)methyl]pyridine-2-carbohydrazide
CID 107171067
[3-[4-[2-[4-[(2-bromo-4-pyridinyl)oxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid
CID 174238883
[3-[4-[2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid
CID 174239001
6-[4-[2-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxyphenyl]propan-2-yl]phenoxy]pyridine-2-carboxylic acid
CID 167437067
6-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carbohydrazide
CID 106908816

Frequently Asked Questions

What is the IUPAC name of [3-[4-[2-[4-[[6-(hydrazinecarbonyl)-2-pyridinyl]methoxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid?
The IUPAC name of [3-[4-[2-[4-[[6-(hydrazinecarbonyl)-2-pyridinyl]methoxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid (CID 174238783) is [3-[4-[2-[4-[[6-(hydrazinecarbonyl)-2-pyridinyl]methoxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid.
What is the SMILES notation for [3-[4-[2-[4-[[6-(hydrazinecarbonyl)-2-pyridinyl]methoxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid?
The canonical SMILES for [3-[4-[2-[4-[[6-(hydrazinecarbonyl)-2-pyridinyl]methoxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid is CC(C)(c1ccc(OCc2cccc(C(=O)NN)n2)cc1)c1ccc(OC2CC(NC(=O)O)C2)cc1.
What is the InChIKey of [3-[4-[2-[4-[[6-(hydrazinecarbonyl)-2-pyridinyl]methoxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid?
The InChIKey is XIYYGJQEIMHZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O5/c1-27(2,18-8-12-22(13-9-18)36-23-14-20(15-23)30-26(33)34)17-6-10-21(11-7-17)35-16-19-4-3-5-24(29-19)25(32)31-28/h3-13,20,23,30H,14-16,28H2,1-2H3,(H,31,32)(H,33,34).
What are the key properties of [3-[4-[2-[4-[[6-(hydrazinecarbonyl)-2-pyridinyl]methoxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid?
[3-[4-[2-[4-[[6-(hydrazinecarbonyl)-2-pyridinyl]methoxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid has a molecular weight of 490.56 g/mol, XLogP of 3.77, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[2-[4-[[6-(hydrazinecarbonyl)-2-pyridinyl]methoxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid is sourced from PubChem (CID 174238783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).