3-[(4R)-2,2-dihydroxy-1-oxa-2-boranuidacyclopent-4-yl]-5-(4-methoxy-3-propoxyphenyl)pyridine

C18H23BNO5- — CID 153474628

IUPAC3-[(4R)-2,2-dihydroxy-1-oxa-2-boranuidacyclopent-4-yl]-5-(4-methoxy-3-propoxyphenyl)pyridine
SMILESCCCOc1cc(-c2cncc([C@@H]3CO[B-](O)(O)C3)c2)ccc1OC
InChIInChI=1S/C18H23BNO5/c1-3-6-24-18-8-13(4-5-17(18)23-2)14-7-15(11-20-10-14)16-9-19(21,22)25-12-16/h4-5,7-8,10-11,16,21-22H,3,6,9,12H2,1-2H3/q-1/t16-/m0/s1
InChIKeyVIUHVEXXCVXVCL-INIZCTEOSA-N
MW344.20 g/mol
LogP2.58
Rot. Bonds6

About 3-[(4R)-2,2-dihydroxy-1-oxa-2-boranuidacyclopent-4-yl]-5-(4-methoxy-3-propoxyphenyl)pyridine

3-[(4R)-2,2-dihydroxy-1-oxa-2-boranuidacyclopent-4-yl]-5-(4-methoxy-3-propoxyphenyl)pyridine (PubChem CID 153474628) has the molecular formula C18H23BNO5- and a molecular weight of 344.20 g/mol. Its IUPAC name is 3-[(4R)-2,2-dihydroxy-1-oxa-2-boranuidacyclopent-4-yl]-5-(4-methoxy-3-propoxyphenyl)pyridine.

Molecular Properties

Compound Name3-[(4R)-2,2-dihydroxy-1-oxa-2-boranuidacyclopent-4-yl]-5-(4-methoxy-3-propoxyphenyl)pyridine
PubChem CID153474628
Molecular FormulaC18H23BNO5-
Molecular Weight344.20 g/mol
Exact Mass344.17
IUPAC Name3-[(4R)-2,2-dihydroxy-1-oxa-2-boranuidacyclopent-4-yl]-5-(4-methoxy-3-propoxyphenyl)pyridine
SMILESCCCOc1cc(-c2cncc([C@@H]3CO[B-](O)(O)C3)c2)ccc1OC
InChIInChI=1S/C18H23BNO5/c1-3-6-24-18-8-13(4-5-17(18)23-2)14-7-15(11-20-10-14)16-9-19(21,22)25-12-16/h4-5,7-8,10-11,16,21-22H,3,6,9,12H2,1-2H3/q-1/t16-/m0/s1
InChIKeyVIUHVEXXCVXVCL-INIZCTEOSA-N
XLogP2.58
TPSA81.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 3-[(4R)-2,2-dihydroxy-1-oxa-2-boranuidacyclopent-4-yl]-5-(4-methoxy-3-propoxyphenyl)pyridine with MolForge

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

Launch Full Analysis

Related Compounds

Ethaverine
CID 3280
Ethaverine Hydrochloride
CID 5702159
PF-07038124
CID 148293990
4-(2-(3-(Cyclopentyloxy)-4-methoxyphenyl)-2-phenylethyl)pyridine
CID 127928
CT 1730; GR 259653X
CID 89809670
6,7-Dimethoxyisoquinoline
CID 177578
5-Hexyl-2-pyridin-3-yloxyphenol
CID 44450159
5-Hexyl-2-pyridin-4-yloxyphenol
CID 44450160
5-Hexyl-2-pyridin-2-yloxyphenol
CID 44450183
3-(4-Methoxy-phenyl)-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 15480238
4-[2-(3,4-Dimethoxy-phenyl)-vinyl]-pyridine
CID 703616
(3-Pyridylmethylene)tetrahydronaphthalene 17a
CID 6539778

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-2,2-dihydroxy-1-oxa-2-boranuidacyclopent-4-yl]-5-(4-methoxy-3-propoxyphenyl)pyridine?
The IUPAC name of 3-[(4R)-2,2-dihydroxy-1-oxa-2-boranuidacyclopent-4-yl]-5-(4-methoxy-3-propoxyphenyl)pyridine (CID 153474628) is 3-[(4R)-2,2-dihydroxy-1-oxa-2-boranuidacyclopent-4-yl]-5-(4-methoxy-3-propoxyphenyl)pyridine.
What is the SMILES notation for 3-[(4R)-2,2-dihydroxy-1-oxa-2-boranuidacyclopent-4-yl]-5-(4-methoxy-3-propoxyphenyl)pyridine?
The canonical SMILES for 3-[(4R)-2,2-dihydroxy-1-oxa-2-boranuidacyclopent-4-yl]-5-(4-methoxy-3-propoxyphenyl)pyridine is CCCOc1cc(-c2cncc([C@@H]3CO[B-](O)(O)C3)c2)ccc1OC.
What is the InChIKey of 3-[(4R)-2,2-dihydroxy-1-oxa-2-boranuidacyclopent-4-yl]-5-(4-methoxy-3-propoxyphenyl)pyridine?
The InChIKey is VIUHVEXXCVXVCL-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23BNO5/c1-3-6-24-18-8-13(4-5-17(18)23-2)14-7-15(11-20-10-14)16-9-19(21,22)25-12-16/h4-5,7-8,10-11,16,21-22H,3,6,9,12H2,1-2H3/q-1/t16-/m0/s1.
What are the key properties of 3-[(4R)-2,2-dihydroxy-1-oxa-2-boranuidacyclopent-4-yl]-5-(4-methoxy-3-propoxyphenyl)pyridine?
3-[(4R)-2,2-dihydroxy-1-oxa-2-boranuidacyclopent-4-yl]-5-(4-methoxy-3-propoxyphenyl)pyridine has a molecular weight of 344.20 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-2,2-dihydroxy-1-oxa-2-boranuidacyclopent-4-yl]-5-(4-methoxy-3-propoxyphenyl)pyridine is sourced from PubChem (CID 153474628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).