2-[6-[(E)-2-methyl-3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxyprop-1-enyl]-2-pyridinyl]acetaldehyde

C19H21N3O2 — CID 88919623

IUPAC2-[6-[(E)-2-methyl-3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxyprop-1-enyl]-2-pyridinyl]acetaldehyde
SMILESC/C(=C\c1cccc(CC=O)n1)CO/N=C(\C)c1cccc(C)n1
InChIInChI=1S/C19H21N3O2/c1-14(12-18-8-5-7-17(21-18)10-11-23)13-24-22-16(3)19-9-4-6-15(2)20-19/h4-9,11-12H,10,13H2,1-3H3/b14-12+,22-16+
InChIKeyNZZFUUNSZOKVQK-LOMPOVAFSA-N
MW323.40 g/mol
LogP3.37
Rot. Bonds7

About 2-[6-[(E)-2-methyl-3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxyprop-1-enyl]-2-pyridinyl]acetaldehyde

2-[6-[(E)-2-methyl-3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxyprop-1-enyl]-2-pyridinyl]acetaldehyde (PubChem CID 88919623) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[6-[(E)-2-methyl-3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxyprop-1-enyl]-2-pyridinyl]acetaldehyde.

Molecular Properties

Compound Name2-[6-[(E)-2-methyl-3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxyprop-1-enyl]-2-pyridinyl]acetaldehyde
PubChem CID88919623
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-[6-[(E)-2-methyl-3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxyprop-1-enyl]-2-pyridinyl]acetaldehyde
SMILESC/C(=C\c1cccc(CC=O)n1)CO/N=C(\C)c1cccc(C)n1
InChIInChI=1S/C19H21N3O2/c1-14(12-18-8-5-7-17(21-18)10-11-23)13-24-22-16(3)19-9-4-6-15(2)20-19/h4-9,11-12H,10,13H2,1-3H3/b14-12+,22-16+
InChIKeyNZZFUUNSZOKVQK-LOMPOVAFSA-N
XLogP3.37
TPSA64.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 2-[6-[(E)-2-methyl-3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxyprop-1-enyl]-2-pyridinyl]acetaldehyde?
The IUPAC name of 2-[6-[(E)-2-methyl-3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxyprop-1-enyl]-2-pyridinyl]acetaldehyde (CID 88919623) is 2-[6-[(E)-2-methyl-3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxyprop-1-enyl]-2-pyridinyl]acetaldehyde.
What is the SMILES notation for 2-[6-[(E)-2-methyl-3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxyprop-1-enyl]-2-pyridinyl]acetaldehyde?
The canonical SMILES for 2-[6-[(E)-2-methyl-3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxyprop-1-enyl]-2-pyridinyl]acetaldehyde is C/C(=C\c1cccc(CC=O)n1)CO/N=C(\C)c1cccc(C)n1.
What is the InChIKey of 2-[6-[(E)-2-methyl-3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxyprop-1-enyl]-2-pyridinyl]acetaldehyde?
The InChIKey is NZZFUUNSZOKVQK-LOMPOVAFSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-14(12-18-8-5-7-17(21-18)10-11-23)13-24-22-16(3)19-9-4-6-15(2)20-19/h4-9,11-12H,10,13H2,1-3H3/b14-12+,22-16+.
What are the key properties of 2-[6-[(E)-2-methyl-3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxyprop-1-enyl]-2-pyridinyl]acetaldehyde?
2-[6-[(E)-2-methyl-3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxyprop-1-enyl]-2-pyridinyl]acetaldehyde has a molecular weight of 323.40 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(E)-2-methyl-3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxyprop-1-enyl]-2-pyridinyl]acetaldehyde is sourced from PubChem (CID 88919623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).