1-methyl-1-[3-methyl-2-[[6-(2,3,4-trimethoxyphenyl)-2-pyridinyl]oxymethyl]phenyl]hydrazine

C23H27N3O4 — CID 146633077

IUPAC1-methyl-1-[3-methyl-2-[[6-(2,3,4-trimethoxyphenyl)-2-pyridinyl]oxymethyl]phenyl]hydrazine
SMILESCOc1ccc(-c2cccc(OCc3c(C)cccc3N(C)N)n2)c(OC)c1OC
InChIInChI=1S/C23H27N3O4/c1-15-8-6-10-19(26(2)24)17(15)14-30-21-11-7-9-18(25-21)16-12-13-20(27-3)23(29-5)22(16)28-4/h6-13H,14,24H2,1-5H3
InChIKeyLYVHYESXTXIIQW-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.97
Rot. Bonds8

About 1-methyl-1-[3-methyl-2-[[6-(2,3,4-trimethoxyphenyl)-2-pyridinyl]oxymethyl]phenyl]hydrazine

1-methyl-1-[3-methyl-2-[[6-(2,3,4-trimethoxyphenyl)-2-pyridinyl]oxymethyl]phenyl]hydrazine (PubChem CID 146633077) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 1-methyl-1-[3-methyl-2-[[6-(2,3,4-trimethoxyphenyl)-2-pyridinyl]oxymethyl]phenyl]hydrazine.

Molecular Properties

Compound Name1-methyl-1-[3-methyl-2-[[6-(2,3,4-trimethoxyphenyl)-2-pyridinyl]oxymethyl]phenyl]hydrazine
PubChem CID146633077
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name1-methyl-1-[3-methyl-2-[[6-(2,3,4-trimethoxyphenyl)-2-pyridinyl]oxymethyl]phenyl]hydrazine
SMILESCOc1ccc(-c2cccc(OCc3c(C)cccc3N(C)N)n2)c(OC)c1OC
InChIInChI=1S/C23H27N3O4/c1-15-8-6-10-19(26(2)24)17(15)14-30-21-11-7-9-18(25-21)16-12-13-20(27-3)23(29-5)22(16)28-4/h6-13H,14,24H2,1-5H3
InChIKeyLYVHYESXTXIIQW-UHFFFAOYSA-N
XLogP3.97
TPSA79.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 1-methyl-1-[3-methyl-2-[[6-(2,3,4-trimethoxyphenyl)-2-pyridinyl]oxymethyl]phenyl]hydrazine?
The IUPAC name of 1-methyl-1-[3-methyl-2-[[6-(2,3,4-trimethoxyphenyl)-2-pyridinyl]oxymethyl]phenyl]hydrazine (CID 146633077) is 1-methyl-1-[3-methyl-2-[[6-(2,3,4-trimethoxyphenyl)-2-pyridinyl]oxymethyl]phenyl]hydrazine.
What is the SMILES notation for 1-methyl-1-[3-methyl-2-[[6-(2,3,4-trimethoxyphenyl)-2-pyridinyl]oxymethyl]phenyl]hydrazine?
The canonical SMILES for 1-methyl-1-[3-methyl-2-[[6-(2,3,4-trimethoxyphenyl)-2-pyridinyl]oxymethyl]phenyl]hydrazine is COc1ccc(-c2cccc(OCc3c(C)cccc3N(C)N)n2)c(OC)c1OC.
What is the InChIKey of 1-methyl-1-[3-methyl-2-[[6-(2,3,4-trimethoxyphenyl)-2-pyridinyl]oxymethyl]phenyl]hydrazine?
The InChIKey is LYVHYESXTXIIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-15-8-6-10-19(26(2)24)17(15)14-30-21-11-7-9-18(25-21)16-12-13-20(27-3)23(29-5)22(16)28-4/h6-13H,14,24H2,1-5H3.
What are the key properties of 1-methyl-1-[3-methyl-2-[[6-(2,3,4-trimethoxyphenyl)-2-pyridinyl]oxymethyl]phenyl]hydrazine?
1-methyl-1-[3-methyl-2-[[6-(2,3,4-trimethoxyphenyl)-2-pyridinyl]oxymethyl]phenyl]hydrazine has a molecular weight of 409.49 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[3-methyl-2-[[6-(2,3,4-trimethoxyphenyl)-2-pyridinyl]oxymethyl]phenyl]hydrazine is sourced from PubChem (CID 146633077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).