6-(2-methylpentoxymethyl)pyridine-2-carbohydrazide

C13H21N3O2 — CID 106908991

IUPAC6-(2-methylpentoxymethyl)pyridine-2-carbohydrazide
SMILESCCCC(C)COCc1cccc(C(=O)NN)n1
InChIInChI=1S/C13H21N3O2/c1-3-5-10(2)8-18-9-11-6-4-7-12(15-11)13(17)16-14/h4,6-7,10H,3,5,8-9,14H2,1-2H3,(H,16,17)
InChIKeyPLWUYMZHRRNCIB-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.64
Rot. Bonds7

About 6-(2-methylpentoxymethyl)pyridine-2-carbohydrazide

6-(2-methylpentoxymethyl)pyridine-2-carbohydrazide (PubChem CID 106908991) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 6-(2-methylpentoxymethyl)pyridine-2-carbohydrazide.

Molecular Properties

Compound Name6-(2-methylpentoxymethyl)pyridine-2-carbohydrazide
PubChem CID106908991
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name6-(2-methylpentoxymethyl)pyridine-2-carbohydrazide
SMILESCCCC(C)COCc1cccc(C(=O)NN)n1
InChIInChI=1S/C13H21N3O2/c1-3-5-10(2)8-18-9-11-6-4-7-12(15-11)13(17)16-14/h4,6-7,10H,3,5,8-9,14H2,1-2H3,(H,16,17)
InChIKeyPLWUYMZHRRNCIB-UHFFFAOYSA-N
XLogP1.64
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.64
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-propan-2-ylphenoxy)methyl]pyridine-2-carbohydrazide
CID 106908816
6-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]pyridine-2-carbohydrazide
CID 106908803
6-(2-pyridin-2-ylethoxymethyl)pyridine-2-carbohydrazide
CID 106908801
6-(4,4,4-trifluorobutoxymethyl)pyridine-2-carbohydrazide
CID 106908961
2-[[6-(hydrazinecarbonyl)-2-pyridinyl]methyl-propan-2-ylamino]acetamide
CID 106909180
6-[[butyl(methyl)amino]methyl]pyridine-2-carbohydrazide
CID 106909022
6-[(2-ethylcyclohexyl)oxymethyl]pyridine-2-carbohydrazide
CID 106908788
6-(pyridin-3-yloxymethyl)pyridine-2-carbohydrazide
CID 106908908
6-[(3-bromophenoxy)methyl]pyridine-2-carbohydrazide
CID 106908833
6-[(4-butan-2-ylpiperazin-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909093
6-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carbohydrazide
CID 106908889
6-[(3-fluoro-4-methylphenoxy)methyl]pyridine-2-carbohydrazide
CID 107171067

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpentoxymethyl)pyridine-2-carbohydrazide?
The IUPAC name of 6-(2-methylpentoxymethyl)pyridine-2-carbohydrazide (CID 106908991) is 6-(2-methylpentoxymethyl)pyridine-2-carbohydrazide.
What is the SMILES notation for 6-(2-methylpentoxymethyl)pyridine-2-carbohydrazide?
The canonical SMILES for 6-(2-methylpentoxymethyl)pyridine-2-carbohydrazide is CCCC(C)COCc1cccc(C(=O)NN)n1.
What is the InChIKey of 6-(2-methylpentoxymethyl)pyridine-2-carbohydrazide?
The InChIKey is PLWUYMZHRRNCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-5-10(2)8-18-9-11-6-4-7-12(15-11)13(17)16-14/h4,6-7,10H,3,5,8-9,14H2,1-2H3,(H,16,17).
What are the key properties of 6-(2-methylpentoxymethyl)pyridine-2-carbohydrazide?
6-(2-methylpentoxymethyl)pyridine-2-carbohydrazide has a molecular weight of 251.33 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpentoxymethyl)pyridine-2-carbohydrazide is sourced from PubChem (CID 106908991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).