1-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)methanimine

C15H16N2O3 — CID 23761418

IUPAC1-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)methanimine
SMILESCOc1cc(/N=C/c2cccnc2)cc(OC)c1OC
InChIInChI=1S/C15H16N2O3/c1-18-13-7-12(8-14(19-2)15(13)20-3)17-10-11-5-4-6-16-9-11/h4-10H,1-3H3/b17-10+
InChIKeyHGUWLIBNHKDIMA-LICLKQGHSA-N
MW272.30 g/mol
LogP2.86
Rot. Bonds5

About 1-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)methanimine

1-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)methanimine (PubChem CID 23761418) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)methanimine.

Molecular Properties

Compound Name1-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)methanimine
PubChem CID23761418
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)methanimine
SMILESCOc1cc(/N=C/c2cccnc2)cc(OC)c1OC
InChIInChI=1S/C15H16N2O3/c1-18-13-7-12(8-14(19-2)15(13)20-3)17-10-11-5-4-6-16-9-11/h4-10H,1-3H3/b17-10+
InChIKeyHGUWLIBNHKDIMA-LICLKQGHSA-N
XLogP2.86
TPSA52.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)methanimine?
The IUPAC name of 1-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)methanimine (CID 23761418) is 1-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)methanimine.
What is the SMILES notation for 1-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)methanimine?
The canonical SMILES for 1-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)methanimine is COc1cc(/N=C/c2cccnc2)cc(OC)c1OC.
What is the InChIKey of 1-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)methanimine?
The InChIKey is HGUWLIBNHKDIMA-LICLKQGHSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-18-13-7-12(8-14(19-2)15(13)20-3)17-10-11-5-4-6-16-9-11/h4-10H,1-3H3/b17-10+.
What are the key properties of 1-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)methanimine?
1-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)methanimine has a molecular weight of 272.30 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)methanimine is sourced from PubChem (CID 23761418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).