6-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyridine-3-carbaldehyde

C17H19ClN2O — CID 20528337

IUPAC6-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyridine-3-carbaldehyde
SMILESCN(C)CCC(c1ccc(Cl)cc1)c1ccc(C=O)cn1
InChIInChI=1S/C17H19ClN2O/c1-20(2)10-9-16(14-4-6-15(18)7-5-14)17-8-3-13(12-21)11-19-17/h3-8,11-12,16H,9-10H2,1-2H3
InChIKeyYCEZXFTVRFFKLA-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.63
Rot. Bonds6

About 6-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyridine-3-carbaldehyde

6-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyridine-3-carbaldehyde (PubChem CID 20528337) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 6-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyridine-3-carbaldehyde
PubChem CID20528337
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name6-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyridine-3-carbaldehyde
SMILESCN(C)CCC(c1ccc(Cl)cc1)c1ccc(C=O)cn1
InChIInChI=1S/C17H19ClN2O/c1-20(2)10-9-16(14-4-6-15(18)7-5-14)17-8-3-13(12-21)11-19-17/h3-8,11-12,16H,9-10H2,1-2H3
InChIKeyYCEZXFTVRFFKLA-UHFFFAOYSA-N
XLogP3.63
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyridine-3-carbaldehyde?
The IUPAC name of 6-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyridine-3-carbaldehyde (CID 20528337) is 6-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyridine-3-carbaldehyde is CN(C)CCC(c1ccc(Cl)cc1)c1ccc(C=O)cn1.
What is the InChIKey of 6-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyridine-3-carbaldehyde?
The InChIKey is YCEZXFTVRFFKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-20(2)10-9-16(14-4-6-15(18)7-5-14)17-8-3-13(12-21)11-19-17/h3-8,11-12,16H,9-10H2,1-2H3.
What are the key properties of 6-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyridine-3-carbaldehyde?
6-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyridine-3-carbaldehyde has a molecular weight of 302.81 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyridine-3-carbaldehyde is sourced from PubChem (CID 20528337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).