1-[2-[[2-(3-methoxyphenyl)phenyl]methylideneamino]oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid

C22H24N2O4 — CID 173282297

IUPAC1-[2-[[2-(3-methoxyphenyl)phenyl]methylideneamino]oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
SMILESCOc1cccc(-c2ccccc2C=NOCCN2CCC=C(C(=O)O)C2)c1
InChIInChI=1S/C22H24N2O4/c1-27-20-9-4-7-17(14-20)21-10-3-2-6-18(21)15-23-28-13-12-24-11-5-8-19(16-24)22(25)26/h2-4,6-10,14-15H,5,11-13,16H2,1H3,(H,25,26)
InChIKeyVOVMMIOLYKKEAR-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.43
Rot. Bonds8

About 1-[2-[[2-(3-methoxyphenyl)phenyl]methylideneamino]oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid

1-[2-[[2-(3-methoxyphenyl)phenyl]methylideneamino]oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid (PubChem CID 173282297) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 1-[2-[[2-(3-methoxyphenyl)phenyl]methylideneamino]oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[2-(3-methoxyphenyl)phenyl]methylideneamino]oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
PubChem CID173282297
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name1-[2-[[2-(3-methoxyphenyl)phenyl]methylideneamino]oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
SMILESCOc1cccc(-c2ccccc2C=NOCCN2CCC=C(C(=O)O)C2)c1
InChIInChI=1S/C22H24N2O4/c1-27-20-9-4-7-17(14-20)21-10-3-2-6-18(21)15-23-28-13-12-24-11-5-8-19(16-24)22(25)26/h2-4,6-10,14-15H,5,11-13,16H2,1H3,(H,25,26)
InChIKeyVOVMMIOLYKKEAR-UHFFFAOYSA-N
XLogP3.43
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

1-[2-[(E)-[2-(3-phenylphenyl)phenyl]methylideneamino]oxyethyl]pyrrolidine-3-carboxylic acid
CID 155560134
2-[2-(3-methoxyphenyl)phenyl]acetic acid
CID 2759556
methyl 1-[2-(2,2-diphenylethenoxy)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride
CID 139817242
[[2-(3-methoxyphenyl)phenyl]methylideneamino]thiourea
CID 168534774
[1-[2-(3-methoxyphenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate;hydrochloride
CID 70420482
1-[2-[(E)-[2-(2-chloro-4-fluorophenyl)phenyl]methylideneamino]oxyethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 155549568
1-(3-methoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 46743519
(3R)-1-[2-[(Z)-(2-methylphenyl)methylideneamino]oxyethyl]piperidine-3-carboxylic acid;hydrochloride
CID 131719890
1-[4-(1-methylpyrrol-2-yl)-4-phenylbut-3-enyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride
CID 67869117
1-(2-chloroethyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 68810539
1-[[2-(3-methoxyphenyl)phenyl]methyl]piperazine
CID 91111204
2-[2-(3-methoxyphenyl)phenyl]-2-methylpropanoic acid
CID 39232932

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(3-methoxyphenyl)phenyl]methylideneamino]oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid?
The IUPAC name of 1-[2-[[2-(3-methoxyphenyl)phenyl]methylideneamino]oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid (CID 173282297) is 1-[2-[[2-(3-methoxyphenyl)phenyl]methylideneamino]oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid.
What is the SMILES notation for 1-[2-[[2-(3-methoxyphenyl)phenyl]methylideneamino]oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid?
The canonical SMILES for 1-[2-[[2-(3-methoxyphenyl)phenyl]methylideneamino]oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid is COc1cccc(-c2ccccc2C=NOCCN2CCC=C(C(=O)O)C2)c1.
What is the InChIKey of 1-[2-[[2-(3-methoxyphenyl)phenyl]methylideneamino]oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid?
The InChIKey is VOVMMIOLYKKEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-27-20-9-4-7-17(14-20)21-10-3-2-6-18(21)15-23-28-13-12-24-11-5-8-19(16-24)22(25)26/h2-4,6-10,14-15H,5,11-13,16H2,1H3,(H,25,26).
What are the key properties of 1-[2-[[2-(3-methoxyphenyl)phenyl]methylideneamino]oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid?
1-[2-[[2-(3-methoxyphenyl)phenyl]methylideneamino]oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid has a molecular weight of 380.44 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(3-methoxyphenyl)phenyl]methylideneamino]oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid is sourced from PubChem (CID 173282297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).