1-[2-[(E)-[(3-chlorophenyl)-(2-methylphenyl)methylidene]amino]oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride

C22H24Cl2N2O3 — CID 45261562

IUPAC1-[2-[(E)-[(3-chlorophenyl)-(2-methylphenyl)methylidene]amino]oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride
SMILESCc1ccccc1/C(=N/OCCN1CCC=C(C(=O)O)C1)c1cccc(Cl)c1.Cl
InChIInChI=1S/C22H23ClN2O3.ClH/c1-16-6-2-3-10-20(16)21(17-7-4-9-19(23)14-17)24-28-13-12-25-11-5-8-18(15-25)22(26)27;/h2-4,6-10,14H,5,11-13,15H2,1H3,(H,26,27);1H/b24-21+;
InChIKeySESYTDKOSACKIP-BBCFSJFZSA-N
MW435.35 g/mol
LogP4.56
Rot. Bonds7

About 1-[2-[(E)-[(3-chlorophenyl)-(2-methylphenyl)methylidene]amino]oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride

1-[2-[(E)-[(3-chlorophenyl)-(2-methylphenyl)methylidene]amino]oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride (PubChem CID 45261562) has the molecular formula C22H24Cl2N2O3 and a molecular weight of 435.35 g/mol. Its IUPAC name is 1-[2-[(E)-[(3-chlorophenyl)-(2-methylphenyl)methylidene]amino]oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-[2-[(E)-[(3-chlorophenyl)-(2-methylphenyl)methylidene]amino]oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride
PubChem CID45261562
Molecular FormulaC22H24Cl2N2O3
Molecular Weight435.35 g/mol
Exact Mass434.12
IUPAC Name1-[2-[(E)-[(3-chlorophenyl)-(2-methylphenyl)methylidene]amino]oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride
SMILESCc1ccccc1/C(=N/OCCN1CCC=C(C(=O)O)C1)c1cccc(Cl)c1.Cl
InChIInChI=1S/C22H23ClN2O3.ClH/c1-16-6-2-3-10-20(16)21(17-7-4-9-19(23)14-17)24-28-13-12-25-11-5-8-18(15-25)22(26)27;/h2-4,6-10,14H,5,11-13,15H2,1H3,(H,26,27);1H/b24-21+;
InChIKeySESYTDKOSACKIP-BBCFSJFZSA-N
XLogP4.56
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.35
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[2-[(E)-[(3-chlorophenyl)-(2-methylphenyl)methylidene]amino]oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-[(3-chlorophenyl)-(2-methylphenyl)methylidene]amino]oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride?
The IUPAC name of 1-[2-[(E)-[(3-chlorophenyl)-(2-methylphenyl)methylidene]amino]oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride (CID 45261562) is 1-[2-[(E)-[(3-chlorophenyl)-(2-methylphenyl)methylidene]amino]oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-[2-[(E)-[(3-chlorophenyl)-(2-methylphenyl)methylidene]amino]oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride?
The canonical SMILES for 1-[2-[(E)-[(3-chlorophenyl)-(2-methylphenyl)methylidene]amino]oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride is Cc1ccccc1/C(=N/OCCN1CCC=C(C(=O)O)C1)c1cccc(Cl)c1.Cl.
What is the InChIKey of 1-[2-[(E)-[(3-chlorophenyl)-(2-methylphenyl)methylidene]amino]oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride?
The InChIKey is SESYTDKOSACKIP-BBCFSJFZSA-N. The full InChI is InChI=1S/C22H23ClN2O3.ClH/c1-16-6-2-3-10-20(16)21(17-7-4-9-19(23)14-17)24-28-13-12-25-11-5-8-18(15-25)22(26)27;/h2-4,6-10,14H,5,11-13,15H2,1H3,(H,26,27);1H/b24-21+;.
What are the key properties of 1-[2-[(E)-[(3-chlorophenyl)-(2-methylphenyl)methylidene]amino]oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride?
1-[2-[(E)-[(3-chlorophenyl)-(2-methylphenyl)methylidene]amino]oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride has a molecular weight of 435.35 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-[(3-chlorophenyl)-(2-methylphenyl)methylidene]amino]oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 45261562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).