6-[3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropyl]pyridine-2-carbaldehyde

C17H19N3O2 — CID 87170147

IUPAC6-[3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropyl]pyridine-2-carbaldehyde
SMILESC/C(=N\OCCCc1cccc(C=O)n1)c1cccc(C)n1
InChIInChI=1S/C17H19N3O2/c1-13-6-3-10-17(18-13)14(2)20-22-11-5-9-15-7-4-8-16(12-21)19-15/h3-4,6-8,10,12H,5,9,11H2,1-2H3/b20-14+
InChIKeyPUEBZNJSCMFCIO-XSFVSMFZSA-N
MW297.36 g/mol
LogP2.97
Rot. Bonds7

About 6-[3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropyl]pyridine-2-carbaldehyde

6-[3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropyl]pyridine-2-carbaldehyde (PubChem CID 87170147) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 6-[3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropyl]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-[3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropyl]pyridine-2-carbaldehyde
PubChem CID87170147
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name6-[3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropyl]pyridine-2-carbaldehyde
SMILESC/C(=N\OCCCc1cccc(C=O)n1)c1cccc(C)n1
InChIInChI=1S/C17H19N3O2/c1-13-6-3-10-17(18-13)14(2)20-22-11-5-9-15-7-4-8-16(12-21)19-15/h3-4,6-8,10,12H,5,9,11H2,1-2H3/b20-14+
InChIKeyPUEBZNJSCMFCIO-XSFVSMFZSA-N
XLogP2.97
TPSA64.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropyl]pyridine-2-carbaldehyde?
The IUPAC name of 6-[3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropyl]pyridine-2-carbaldehyde (CID 87170147) is 6-[3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropyl]pyridine-2-carbaldehyde.
What is the SMILES notation for 6-[3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropyl]pyridine-2-carbaldehyde?
The canonical SMILES for 6-[3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropyl]pyridine-2-carbaldehyde is C/C(=N\OCCCc1cccc(C=O)n1)c1cccc(C)n1.
What is the InChIKey of 6-[3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropyl]pyridine-2-carbaldehyde?
The InChIKey is PUEBZNJSCMFCIO-XSFVSMFZSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-13-6-3-10-17(18-13)14(2)20-22-11-5-9-15-7-4-8-16(12-21)19-15/h3-4,6-8,10,12H,5,9,11H2,1-2H3/b20-14+.
What are the key properties of 6-[3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropyl]pyridine-2-carbaldehyde?
6-[3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropyl]pyridine-2-carbaldehyde has a molecular weight of 297.36 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropyl]pyridine-2-carbaldehyde is sourced from PubChem (CID 87170147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).