N-[3-[6-(6-methyl-4-propan-2-yloxy-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine

C25H30N4O2 — CID 123234175

IUPACN-[3-[6-(6-methyl-4-propan-2-yloxy-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine
SMILESCC(=NOCCCc1cccc(-c2cc(OC(C)C)cc(C)n2)n1)c1cccc(C)n1
InChIInChI=1S/C25H30N4O2/c1-17(2)31-22-15-19(4)27-25(16-22)24-13-7-10-21(28-24)11-8-14-30-29-20(5)23-12-6-9-18(3)26-23/h6-7,9-10,12-13,15-17H,8,11,14H2,1-5H3
InChIKeyHCQMEOBQPZEUFK-UHFFFAOYSA-N
MW418.54 g/mol
LogP5.32
Rot. Bonds9

About N-[3-[6-(6-methyl-4-propan-2-yloxy-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine

N-[3-[6-(6-methyl-4-propan-2-yloxy-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine (PubChem CID 123234175) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[3-[6-(6-methyl-4-propan-2-yloxy-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine.

Molecular Properties

Compound NameN-[3-[6-(6-methyl-4-propan-2-yloxy-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine
PubChem CID123234175
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN-[3-[6-(6-methyl-4-propan-2-yloxy-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine
SMILESCC(=NOCCCc1cccc(-c2cc(OC(C)C)cc(C)n2)n1)c1cccc(C)n1
InChIInChI=1S/C25H30N4O2/c1-17(2)31-22-15-19(4)27-25(16-22)24-13-7-10-21(28-24)11-8-14-30-29-20(5)23-12-6-9-18(3)26-23/h6-7,9-10,12-13,15-17H,8,11,14H2,1-5H3
InChIKeyHCQMEOBQPZEUFK-UHFFFAOYSA-N
XLogP5.32
TPSA69.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 N-[3-[6-(6-methyl-4-propan-2-yloxy-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine?
The IUPAC name of N-[3-[6-(6-methyl-4-propan-2-yloxy-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine (CID 123234175) is N-[3-[6-(6-methyl-4-propan-2-yloxy-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine.
What is the SMILES notation for N-[3-[6-(6-methyl-4-propan-2-yloxy-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine?
The canonical SMILES for N-[3-[6-(6-methyl-4-propan-2-yloxy-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine is CC(=NOCCCc1cccc(-c2cc(OC(C)C)cc(C)n2)n1)c1cccc(C)n1.
What is the InChIKey of N-[3-[6-(6-methyl-4-propan-2-yloxy-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine?
The InChIKey is HCQMEOBQPZEUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-17(2)31-22-15-19(4)27-25(16-22)24-13-7-10-21(28-24)11-8-14-30-29-20(5)23-12-6-9-18(3)26-23/h6-7,9-10,12-13,15-17H,8,11,14H2,1-5H3.
What are the key properties of N-[3-[6-(6-methyl-4-propan-2-yloxy-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine?
N-[3-[6-(6-methyl-4-propan-2-yloxy-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine has a molecular weight of 418.54 g/mol, XLogP of 5.32, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(6-methyl-4-propan-2-yloxy-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine is sourced from PubChem (CID 123234175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).