6-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carbohydrazide

C16H19N3O2 — CID 106908816

IUPAC6-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carbohydrazide
SMILESCC(C)c1cccc(OCc2cccc(C(=O)NN)n2)c1
InChIInChI=1S/C16H19N3O2/c1-11(2)12-5-3-7-14(9-12)21-10-13-6-4-8-15(18-13)16(20)19-17/h3-9,11H,10,17H2,1-2H3,(H,19,20)
InChIKeyNCMSQXDFVNKETC-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.39
Rot. Bonds5

About 6-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carbohydrazide

6-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carbohydrazide (PubChem CID 106908816) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 6-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name6-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carbohydrazide
PubChem CID106908816
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name6-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carbohydrazide
SMILESCC(C)c1cccc(OCc2cccc(C(=O)NN)n2)c1
InChIInChI=1S/C16H19N3O2/c1-11(2)12-5-3-7-14(9-12)21-10-13-6-4-8-15(18-13)16(20)19-17/h3-9,11H,10,17H2,1-2H3,(H,19,20)
InChIKeyNCMSQXDFVNKETC-UHFFFAOYSA-N
XLogP2.39
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

6-[(3-bromophenoxy)methyl]pyridine-2-carbohydrazide
CID 106908833
3-[[6-(hydrazinecarbonyl)-2-pyridinyl]methoxy]benzamide
CID 106908853
6-[(3-fluoro-4-methylphenoxy)methyl]pyridine-2-carbohydrazide
CID 107171067
6-(pyridin-3-yloxymethyl)pyridine-2-carbohydrazide
CID 106908908
5-[(3-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide
CID 63577007
6-(2-methylpentoxymethyl)pyridine-2-carbohydrazide
CID 106908991
6-(methylamino)-2-[(3-propan-2-ylphenoxy)methyl]pyrimidine-4-carboxylic acid
CID 82169751
3-[(3-propan-2-ylphenoxy)methyl]-1,2-oxazol-5-amine
CID 82082438
2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide
CID 82423883
2-(3-propan-2-ylphenoxy)butanehydrazide
CID 55213791
6-(phenoxymethyl)pyridine-2-carboxylic acid
CID 54566453
[3-[4-[2-[4-[[6-(hydrazinecarbonyl)-2-pyridinyl]methoxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid
CID 174238783

Frequently Asked Questions

What is the IUPAC name of 6-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carbohydrazide?
The IUPAC name of 6-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carbohydrazide (CID 106908816) is 6-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carbohydrazide.
What is the SMILES notation for 6-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carbohydrazide?
The canonical SMILES for 6-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carbohydrazide is CC(C)c1cccc(OCc2cccc(C(=O)NN)n2)c1.
What is the InChIKey of 6-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carbohydrazide?
The InChIKey is NCMSQXDFVNKETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11(2)12-5-3-7-14(9-12)21-10-13-6-4-8-15(18-13)16(20)19-17/h3-9,11H,10,17H2,1-2H3,(H,19,20).
What are the key properties of 6-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carbohydrazide?
6-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carbohydrazide has a molecular weight of 285.35 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 106908816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).