3-[3-(2-methoxyethoxy)-4-pyridin-3-ylphenyl]-2-methylpropanehydrazide;hydrochloride

C18H24ClN3O3 — CID 174586008

IUPAC3-[3-(2-methoxyethoxy)-4-pyridin-3-ylphenyl]-2-methylpropanehydrazide;hydrochloride
SMILESCOCCOc1cc(CC(C)C(=O)NN)ccc1-c1cccnc1.Cl
InChIInChI=1S/C18H23N3O3.ClH/c1-13(18(22)21-19)10-14-5-6-16(15-4-3-7-20-12-15)17(11-14)24-9-8-23-2;/h3-7,11-13H,8-10,19H2,1-2H3,(H,21,22);1H
InChIKeyNJPMYQTVCMJVQD-UHFFFAOYSA-N
MW365.86 g/mol
LogP2.36
Rot. Bonds8

About 3-[3-(2-methoxyethoxy)-4-pyridin-3-ylphenyl]-2-methylpropanehydrazide;hydrochloride

3-[3-(2-methoxyethoxy)-4-pyridin-3-ylphenyl]-2-methylpropanehydrazide;hydrochloride (PubChem CID 174586008) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is 3-[3-(2-methoxyethoxy)-4-pyridin-3-ylphenyl]-2-methylpropanehydrazide;hydrochloride.

Molecular Properties

Compound Name3-[3-(2-methoxyethoxy)-4-pyridin-3-ylphenyl]-2-methylpropanehydrazide;hydrochloride
PubChem CID174586008
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC Name3-[3-(2-methoxyethoxy)-4-pyridin-3-ylphenyl]-2-methylpropanehydrazide;hydrochloride
SMILESCOCCOc1cc(CC(C)C(=O)NN)ccc1-c1cccnc1.Cl
InChIInChI=1S/C18H23N3O3.ClH/c1-13(18(22)21-19)10-14-5-6-16(15-4-3-7-20-12-15)17(11-14)24-9-8-23-2;/h3-7,11-13H,8-10,19H2,1-2H3,(H,21,22);1H
InChIKeyNJPMYQTVCMJVQD-UHFFFAOYSA-N
XLogP2.36
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-[2-(2-methoxyethoxy)phenyl]pyridine
CID 141192201
2-pyridin-3-ylpropanehydrazide
CID 116843938
N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-3-ylpropanamide
CID 53380065
[1-[2-(2-methoxyethoxy)phenyl]-2-pyridin-3-ylethyl]hydrazine
CID 105212262
methyl 2-amino-3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propanoate
CID 170884561
3-[4-(6-fluoroheptyl)-2-prop-2-enoxyphenyl]pyridine
CID 67638405
2-methoxyethyl (2R)-2-amino-3-pyridin-3-ylpropanoate
CID 142428515
3-(3,4-dimethoxyphenyl)-2-phenylpropanehydrazide
CID 12722073
1-[6-(2-methoxyethoxy)-5-pyridin-3-yl-1,3-benzothiazol-2-yl]-3-prop-2-enylurea
CID 86575925
methyl 3-[4-[3-(4-acetamidophenyl)propyl]-3-(2-methoxyethoxy)phenyl]-2-methylpropanoate
CID 25123612
N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55635271
1-(3-pyridin-3-ylphenyl)propan-2-amine
CID 131562841

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyethoxy)-4-pyridin-3-ylphenyl]-2-methylpropanehydrazide;hydrochloride?
The IUPAC name of 3-[3-(2-methoxyethoxy)-4-pyridin-3-ylphenyl]-2-methylpropanehydrazide;hydrochloride (CID 174586008) is 3-[3-(2-methoxyethoxy)-4-pyridin-3-ylphenyl]-2-methylpropanehydrazide;hydrochloride.
What is the SMILES notation for 3-[3-(2-methoxyethoxy)-4-pyridin-3-ylphenyl]-2-methylpropanehydrazide;hydrochloride?
The canonical SMILES for 3-[3-(2-methoxyethoxy)-4-pyridin-3-ylphenyl]-2-methylpropanehydrazide;hydrochloride is COCCOc1cc(CC(C)C(=O)NN)ccc1-c1cccnc1.Cl.
What is the InChIKey of 3-[3-(2-methoxyethoxy)-4-pyridin-3-ylphenyl]-2-methylpropanehydrazide;hydrochloride?
The InChIKey is NJPMYQTVCMJVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3.ClH/c1-13(18(22)21-19)10-14-5-6-16(15-4-3-7-20-12-15)17(11-14)24-9-8-23-2;/h3-7,11-13H,8-10,19H2,1-2H3,(H,21,22);1H.
What are the key properties of 3-[3-(2-methoxyethoxy)-4-pyridin-3-ylphenyl]-2-methylpropanehydrazide;hydrochloride?
3-[3-(2-methoxyethoxy)-4-pyridin-3-ylphenyl]-2-methylpropanehydrazide;hydrochloride has a molecular weight of 365.86 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyethoxy)-4-pyridin-3-ylphenyl]-2-methylpropanehydrazide;hydrochloride is sourced from PubChem (CID 174586008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).