5-[2-[6-[5-[2-(6-formyl-3-pyridinyl)ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]pyridine-2-carbaldehyde

C26H22N4O2 — CID 53389305

IUPAC5-[2-[6-[5-[2-(6-formyl-3-pyridinyl)ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]pyridine-2-carbaldehyde
SMILESO=Cc1ccc(CCc2ccc(-c3ccc(CCc4ccc(C=O)nc4)cn3)nc2)cn1
InChIInChI=1S/C26H22N4O2/c31-17-23-9-5-19(13-27-23)1-3-21-7-11-25(29-15-21)26-12-8-22(16-30-26)4-2-20-6-10-24(18-32)28-14-20/h5-18H,1-4H2
InChIKeyCZURPVVKJGJEQE-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.13
Rot. Bonds9

About 5-[2-[6-[5-[2-(6-formyl-3-pyridinyl)ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]pyridine-2-carbaldehyde

5-[2-[6-[5-[2-(6-formyl-3-pyridinyl)ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]pyridine-2-carbaldehyde (PubChem CID 53389305) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is 5-[2-[6-[5-[2-(6-formyl-3-pyridinyl)ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-[6-[5-[2-(6-formyl-3-pyridinyl)ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]pyridine-2-carbaldehyde
PubChem CID53389305
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC Name5-[2-[6-[5-[2-(6-formyl-3-pyridinyl)ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]pyridine-2-carbaldehyde
SMILESO=Cc1ccc(CCc2ccc(-c3ccc(CCc4ccc(C=O)nc4)cn3)nc2)cn1
InChIInChI=1S/C26H22N4O2/c31-17-23-9-5-19(13-27-23)1-3-21-7-11-25(29-15-21)26-12-8-22(16-30-26)4-2-20-6-10-24(18-32)28-14-20/h5-18H,1-4H2
InChIKeyCZURPVVKJGJEQE-UHFFFAOYSA-N
XLogP4.13
TPSA85.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[2-[6-[5-[2-(6-formyl-3-pyridinyl)ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]pyridine-2-carbaldehyde with MolForge

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Related Compounds

1-(4-Benzoylpiperazin-1-yl)-2-(1,6-naphthyridin-2-yl)ethane-1,2-dione
CID 5280261
2,2'-Bipyridine-4,4'-dicarboxaldehyde
CID 4171663
(2,2'-Bipyridine)-5,5'-dicarbaldehyde
CID 15547968
N-ethyl-N-methyl-4-[(R)-pyridin-2-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzamide
CID 57393725
N-ethyl-N-methyl-4-[(R)-pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzamide
CID 57398977
N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]pyridine-2-carboxamide
CID 71459153
4-[4-(2-Pyridin-2-ylquinolin-4-yl)piperazin-1-yl]benzaldehyde
CID 73345797
2,2'-Bipyridine-4-carboxaldehyde
CID 10171298
6-(Pyridin-2-yl)pyridine-3-carbaldehyde
CID 10866997
4-Phenylpyridine-2-carboxaldehyde
CID 12217654
N-methyl-3-[1-(pyridin-2-ylcarbonyl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 16189785
(3Z,6Z)-3-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methylidene]-6-(pyridin-2-ylmethylidene)piperazine-2,5-dione
CID 145969949

Frequently Asked Questions

What is the IUPAC name of 5-[2-[6-[5-[2-(6-formyl-3-pyridinyl)ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]pyridine-2-carbaldehyde?
The IUPAC name of 5-[2-[6-[5-[2-(6-formyl-3-pyridinyl)ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]pyridine-2-carbaldehyde (CID 53389305) is 5-[2-[6-[5-[2-(6-formyl-3-pyridinyl)ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]pyridine-2-carbaldehyde.
What is the SMILES notation for 5-[2-[6-[5-[2-(6-formyl-3-pyridinyl)ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]pyridine-2-carbaldehyde?
The canonical SMILES for 5-[2-[6-[5-[2-(6-formyl-3-pyridinyl)ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]pyridine-2-carbaldehyde is O=Cc1ccc(CCc2ccc(-c3ccc(CCc4ccc(C=O)nc4)cn3)nc2)cn1.
What is the InChIKey of 5-[2-[6-[5-[2-(6-formyl-3-pyridinyl)ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]pyridine-2-carbaldehyde?
The InChIKey is CZURPVVKJGJEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c31-17-23-9-5-19(13-27-23)1-3-21-7-11-25(29-15-21)26-12-8-22(16-30-26)4-2-20-6-10-24(18-32)28-14-20/h5-18H,1-4H2.
What are the key properties of 5-[2-[6-[5-[2-(6-formyl-3-pyridinyl)ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]pyridine-2-carbaldehyde?
5-[2-[6-[5-[2-(6-formyl-3-pyridinyl)ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]pyridine-2-carbaldehyde has a molecular weight of 422.49 g/mol, XLogP of 4.13, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[6-[5-[2-(6-formyl-3-pyridinyl)ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]pyridine-2-carbaldehyde is sourced from PubChem (CID 53389305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).