3-[4-(dimethylamino)phenyl]-1-pyridin-2-ylindolizine-2-carbaldehyde

C22H19N3O — CID 166637502

IUPAC3-[4-(dimethylamino)phenyl]-1-pyridin-2-ylindolizine-2-carbaldehyde
SMILESCN(C)c1ccc(-c2c(C=O)c(-c3ccccn3)c3ccccn23)cc1
InChIInChI=1S/C22H19N3O/c1-24(2)17-11-9-16(10-12-17)22-18(15-26)21(19-7-3-5-13-23-19)20-8-4-6-14-25(20)22/h3-15H,1-2H3
InChIKeyBYOIACILSCODBS-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.55
Rot. Bonds4

About 3-[4-(dimethylamino)phenyl]-1-pyridin-2-ylindolizine-2-carbaldehyde

3-[4-(dimethylamino)phenyl]-1-pyridin-2-ylindolizine-2-carbaldehyde (PubChem CID 166637502) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-1-pyridin-2-ylindolizine-2-carbaldehyde.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-1-pyridin-2-ylindolizine-2-carbaldehyde
PubChem CID166637502
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name3-[4-(dimethylamino)phenyl]-1-pyridin-2-ylindolizine-2-carbaldehyde
SMILESCN(C)c1ccc(-c2c(C=O)c(-c3ccccn3)c3ccccn23)cc1
InChIInChI=1S/C22H19N3O/c1-24(2)17-11-9-16(10-12-17)22-18(15-26)21(19-7-3-5-13-23-19)20-8-4-6-14-25(20)22/h3-15H,1-2H3
InChIKeyBYOIACILSCODBS-UHFFFAOYSA-N
XLogP4.55
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-1-pyridin-2-ylindolizine-2-carbaldehyde?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-1-pyridin-2-ylindolizine-2-carbaldehyde (CID 166637502) is 3-[4-(dimethylamino)phenyl]-1-pyridin-2-ylindolizine-2-carbaldehyde.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-1-pyridin-2-ylindolizine-2-carbaldehyde?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-1-pyridin-2-ylindolizine-2-carbaldehyde is CN(C)c1ccc(-c2c(C=O)c(-c3ccccn3)c3ccccn23)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-1-pyridin-2-ylindolizine-2-carbaldehyde?
The InChIKey is BYOIACILSCODBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-24(2)17-11-9-16(10-12-17)22-18(15-26)21(19-7-3-5-13-23-19)20-8-4-6-14-25(20)22/h3-15H,1-2H3.
What are the key properties of 3-[4-(dimethylamino)phenyl]-1-pyridin-2-ylindolizine-2-carbaldehyde?
3-[4-(dimethylamino)phenyl]-1-pyridin-2-ylindolizine-2-carbaldehyde has a molecular weight of 341.41 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-1-pyridin-2-ylindolizine-2-carbaldehyde is sourced from PubChem (CID 166637502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).