4-[2-[3-cyclopropyl-2-[(3-hydroxyphenoxy)methyl]-6-oxo-1-pyridinyl]ethyl]benzaldehyde

C24H23NO4 — CID 89049423

IUPAC4-[2-[3-cyclopropyl-2-[(3-hydroxyphenoxy)methyl]-6-oxo-1-pyridinyl]ethyl]benzaldehyde
SMILESO=Cc1ccc(CCn2c(COc3cccc(O)c3)c(C3CC3)ccc2=O)cc1
InChIInChI=1S/C24H23NO4/c26-15-18-6-4-17(5-7-18)12-13-25-23(16-29-21-3-1-2-20(27)14-21)22(19-8-9-19)10-11-24(25)28/h1-7,10-11,14-15,19,27H,8-9,12-13,16H2
InChIKeyGDBZHRBNPFTCEQ-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.07
Rot. Bonds8

About 4-[2-[3-cyclopropyl-2-[(3-hydroxyphenoxy)methyl]-6-oxo-1-pyridinyl]ethyl]benzaldehyde

4-[2-[3-cyclopropyl-2-[(3-hydroxyphenoxy)methyl]-6-oxo-1-pyridinyl]ethyl]benzaldehyde (PubChem CID 89049423) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is 4-[2-[3-cyclopropyl-2-[(3-hydroxyphenoxy)methyl]-6-oxo-1-pyridinyl]ethyl]benzaldehyde.

Molecular Properties

Compound Name4-[2-[3-cyclopropyl-2-[(3-hydroxyphenoxy)methyl]-6-oxo-1-pyridinyl]ethyl]benzaldehyde
PubChem CID89049423
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name4-[2-[3-cyclopropyl-2-[(3-hydroxyphenoxy)methyl]-6-oxo-1-pyridinyl]ethyl]benzaldehyde
SMILESO=Cc1ccc(CCn2c(COc3cccc(O)c3)c(C3CC3)ccc2=O)cc1
InChIInChI=1S/C24H23NO4/c26-15-18-6-4-17(5-7-18)12-13-25-23(16-29-21-3-1-2-20(27)14-21)22(19-8-9-19)10-11-24(25)28/h1-7,10-11,14-15,19,27H,8-9,12-13,16H2
InChIKeyGDBZHRBNPFTCEQ-UHFFFAOYSA-N
XLogP4.07
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-cyclopropyl-2-[(3-hydroxyphenoxy)methyl]-6-oxo-1-pyridinyl]ethyl]benzaldehyde?
The IUPAC name of 4-[2-[3-cyclopropyl-2-[(3-hydroxyphenoxy)methyl]-6-oxo-1-pyridinyl]ethyl]benzaldehyde (CID 89049423) is 4-[2-[3-cyclopropyl-2-[(3-hydroxyphenoxy)methyl]-6-oxo-1-pyridinyl]ethyl]benzaldehyde.
What is the SMILES notation for 4-[2-[3-cyclopropyl-2-[(3-hydroxyphenoxy)methyl]-6-oxo-1-pyridinyl]ethyl]benzaldehyde?
The canonical SMILES for 4-[2-[3-cyclopropyl-2-[(3-hydroxyphenoxy)methyl]-6-oxo-1-pyridinyl]ethyl]benzaldehyde is O=Cc1ccc(CCn2c(COc3cccc(O)c3)c(C3CC3)ccc2=O)cc1.
What is the InChIKey of 4-[2-[3-cyclopropyl-2-[(3-hydroxyphenoxy)methyl]-6-oxo-1-pyridinyl]ethyl]benzaldehyde?
The InChIKey is GDBZHRBNPFTCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c26-15-18-6-4-17(5-7-18)12-13-25-23(16-29-21-3-1-2-20(27)14-21)22(19-8-9-19)10-11-24(25)28/h1-7,10-11,14-15,19,27H,8-9,12-13,16H2.
What are the key properties of 4-[2-[3-cyclopropyl-2-[(3-hydroxyphenoxy)methyl]-6-oxo-1-pyridinyl]ethyl]benzaldehyde?
4-[2-[3-cyclopropyl-2-[(3-hydroxyphenoxy)methyl]-6-oxo-1-pyridinyl]ethyl]benzaldehyde has a molecular weight of 389.45 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-cyclopropyl-2-[(3-hydroxyphenoxy)methyl]-6-oxo-1-pyridinyl]ethyl]benzaldehyde is sourced from PubChem (CID 89049423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).