4-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyphenyl]pyridine-2-carbaldehyde

C22H16N4O2 — CID 87399261

IUPAC4-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyphenyl]pyridine-2-carbaldehyde
SMILESCc1cc(-c2nccnc2Oc2cccc(-c3ccnc(C=O)c3)c2)ccn1
InChIInChI=1S/C22H16N4O2/c1-15-11-18(6-7-23-15)21-22(26-10-9-25-21)28-20-4-2-3-16(13-20)17-5-8-24-19(12-17)14-27/h2-14H,1H3
InChIKeyIOMKKYUKYUDCKU-UHFFFAOYSA-N
MW368.40 g/mol
LogP4.51
Rot. Bonds5

About 4-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyphenyl]pyridine-2-carbaldehyde

4-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyphenyl]pyridine-2-carbaldehyde (PubChem CID 87399261) has the molecular formula C22H16N4O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is 4-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyphenyl]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyphenyl]pyridine-2-carbaldehyde
PubChem CID87399261
Molecular FormulaC22H16N4O2
Molecular Weight368.40 g/mol
Exact Mass368.13
IUPAC Name4-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyphenyl]pyridine-2-carbaldehyde
SMILESCc1cc(-c2nccnc2Oc2cccc(-c3ccnc(C=O)c3)c2)ccn1
InChIInChI=1S/C22H16N4O2/c1-15-11-18(6-7-23-15)21-22(26-10-9-25-21)28-20-4-2-3-16(13-20)17-5-8-24-19(12-17)14-27/h2-14H,1H3
InChIKeyIOMKKYUKYUDCKU-UHFFFAOYSA-N
XLogP4.51
TPSA77.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 54.51
H-Bond Donors ≤ 50
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 4-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyphenyl]pyridine-2-carbaldehyde?
The IUPAC name of 4-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyphenyl]pyridine-2-carbaldehyde (CID 87399261) is 4-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyphenyl]pyridine-2-carbaldehyde.
What is the SMILES notation for 4-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyphenyl]pyridine-2-carbaldehyde?
The canonical SMILES for 4-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyphenyl]pyridine-2-carbaldehyde is Cc1cc(-c2nccnc2Oc2cccc(-c3ccnc(C=O)c3)c2)ccn1.
What is the InChIKey of 4-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyphenyl]pyridine-2-carbaldehyde?
The InChIKey is IOMKKYUKYUDCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O2/c1-15-11-18(6-7-23-15)21-22(26-10-9-25-21)28-20-4-2-3-16(13-20)17-5-8-24-19(12-17)14-27/h2-14H,1H3.
What are the key properties of 4-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyphenyl]pyridine-2-carbaldehyde?
4-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyphenyl]pyridine-2-carbaldehyde has a molecular weight of 368.40 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyphenyl]pyridine-2-carbaldehyde is sourced from PubChem (CID 87399261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).