6-[6-[[2-(hydroxymethyl)-6-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-2-pyridinyl]pyridine-2-carbaldehyde

C24H20N4O2 — CID 135252324

IUPAC6-[6-[[2-(hydroxymethyl)-6-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-2-pyridinyl]pyridine-2-carbaldehyde
SMILESCc1ccnc(-c2cc(Cc3cccc(-c4cccc(C=O)n4)n3)cc(CO)n2)c1
InChIInChI=1S/C24H20N4O2/c1-16-8-9-25-23(10-16)24-13-17(12-20(15-30)28-24)11-18-4-2-6-21(26-18)22-7-3-5-19(14-29)27-22/h2-10,12-14,30H,11,15H2,1H3
InChIKeyGYAPIPFSLUQTBK-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.80
Rot. Bonds6

About 6-[6-[[2-(hydroxymethyl)-6-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-2-pyridinyl]pyridine-2-carbaldehyde

6-[6-[[2-(hydroxymethyl)-6-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-2-pyridinyl]pyridine-2-carbaldehyde (PubChem CID 135252324) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 6-[6-[[2-(hydroxymethyl)-6-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-2-pyridinyl]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-[6-[[2-(hydroxymethyl)-6-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-2-pyridinyl]pyridine-2-carbaldehyde
PubChem CID135252324
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name6-[6-[[2-(hydroxymethyl)-6-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-2-pyridinyl]pyridine-2-carbaldehyde
SMILESCc1ccnc(-c2cc(Cc3cccc(-c4cccc(C=O)n4)n3)cc(CO)n2)c1
InChIInChI=1S/C24H20N4O2/c1-16-8-9-25-23(10-16)24-13-17(12-20(15-30)28-24)11-18-4-2-6-21(26-18)22-7-3-5-19(14-29)27-22/h2-10,12-14,30H,11,15H2,1H3
InChIKeyGYAPIPFSLUQTBK-UHFFFAOYSA-N
XLogP3.80
TPSA88.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[6-[[2-(hydroxymethyl)-6-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-2-pyridinyl]pyridine-2-carbaldehyde?
The IUPAC name of 6-[6-[[2-(hydroxymethyl)-6-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-2-pyridinyl]pyridine-2-carbaldehyde (CID 135252324) is 6-[6-[[2-(hydroxymethyl)-6-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-2-pyridinyl]pyridine-2-carbaldehyde.
What is the SMILES notation for 6-[6-[[2-(hydroxymethyl)-6-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-2-pyridinyl]pyridine-2-carbaldehyde?
The canonical SMILES for 6-[6-[[2-(hydroxymethyl)-6-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-2-pyridinyl]pyridine-2-carbaldehyde is Cc1ccnc(-c2cc(Cc3cccc(-c4cccc(C=O)n4)n3)cc(CO)n2)c1.
What is the InChIKey of 6-[6-[[2-(hydroxymethyl)-6-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-2-pyridinyl]pyridine-2-carbaldehyde?
The InChIKey is GYAPIPFSLUQTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-16-8-9-25-23(10-16)24-13-17(12-20(15-30)28-24)11-18-4-2-6-21(26-18)22-7-3-5-19(14-29)27-22/h2-10,12-14,30H,11,15H2,1H3.
What are the key properties of 6-[6-[[2-(hydroxymethyl)-6-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-2-pyridinyl]pyridine-2-carbaldehyde?
6-[6-[[2-(hydroxymethyl)-6-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-2-pyridinyl]pyridine-2-carbaldehyde has a molecular weight of 396.45 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[[2-(hydroxymethyl)-6-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-2-pyridinyl]pyridine-2-carbaldehyde is sourced from PubChem (CID 135252324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).