3-[(E)-2-methoxyethenyl]-6-(4-phenylmethoxybutoxy)pyridin-2-amine

C19H24N2O3 — CID 69358862

IUPAC3-[(E)-2-methoxyethenyl]-6-(4-phenylmethoxybutoxy)pyridin-2-amine
SMILESCO/C=C/c1ccc(OCCCCOCc2ccccc2)nc1N
InChIInChI=1S/C19H24N2O3/c1-22-14-11-17-9-10-18(21-19(17)20)24-13-6-5-12-23-15-16-7-3-2-4-8-16/h2-4,7-11,14H,5-6,12-13,15H2,1H3,(H2,20,21)/b14-11+
InChIKeyNXSIWEQRUFPMCE-SDNWHVSQSA-N
MW328.41 g/mol
LogP3.66
Rot. Bonds10

About 3-[(E)-2-methoxyethenyl]-6-(4-phenylmethoxybutoxy)pyridin-2-amine

3-[(E)-2-methoxyethenyl]-6-(4-phenylmethoxybutoxy)pyridin-2-amine (PubChem CID 69358862) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-[(E)-2-methoxyethenyl]-6-(4-phenylmethoxybutoxy)pyridin-2-amine.

Molecular Properties

Compound Name3-[(E)-2-methoxyethenyl]-6-(4-phenylmethoxybutoxy)pyridin-2-amine
PubChem CID69358862
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name3-[(E)-2-methoxyethenyl]-6-(4-phenylmethoxybutoxy)pyridin-2-amine
SMILESCO/C=C/c1ccc(OCCCCOCc2ccccc2)nc1N
InChIInChI=1S/C19H24N2O3/c1-22-14-11-17-9-10-18(21-19(17)20)24-13-6-5-12-23-15-16-7-3-2-4-8-16/h2-4,7-11,14H,5-6,12-13,15H2,1H3,(H2,20,21)/b14-11+
InChIKeyNXSIWEQRUFPMCE-SDNWHVSQSA-N
XLogP3.66
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-methoxyethenyl]-6-(4-phenylmethoxybutoxy)pyridin-2-amine?
The IUPAC name of 3-[(E)-2-methoxyethenyl]-6-(4-phenylmethoxybutoxy)pyridin-2-amine (CID 69358862) is 3-[(E)-2-methoxyethenyl]-6-(4-phenylmethoxybutoxy)pyridin-2-amine.
What is the SMILES notation for 3-[(E)-2-methoxyethenyl]-6-(4-phenylmethoxybutoxy)pyridin-2-amine?
The canonical SMILES for 3-[(E)-2-methoxyethenyl]-6-(4-phenylmethoxybutoxy)pyridin-2-amine is CO/C=C/c1ccc(OCCCCOCc2ccccc2)nc1N.
What is the InChIKey of 3-[(E)-2-methoxyethenyl]-6-(4-phenylmethoxybutoxy)pyridin-2-amine?
The InChIKey is NXSIWEQRUFPMCE-SDNWHVSQSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-22-14-11-17-9-10-18(21-19(17)20)24-13-6-5-12-23-15-16-7-3-2-4-8-16/h2-4,7-11,14H,5-6,12-13,15H2,1H3,(H2,20,21)/b14-11+.
What are the key properties of 3-[(E)-2-methoxyethenyl]-6-(4-phenylmethoxybutoxy)pyridin-2-amine?
3-[(E)-2-methoxyethenyl]-6-(4-phenylmethoxybutoxy)pyridin-2-amine has a molecular weight of 328.41 g/mol, XLogP of 3.66, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-methoxyethenyl]-6-(4-phenylmethoxybutoxy)pyridin-2-amine is sourced from PubChem (CID 69358862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).