1-[4-[5-[2-[[6-(4-acetyl-3,5-dimethoxyphenyl)-3-pyridinyl]-methylamino]ethyl-methylamino]-2-pyridinyl]-2,6-dimethoxyphenyl]ethanone

C34H38N4O6 — CID 22485511

IUPAC1-[4-[5-[2-[[6-(4-acetyl-3,5-dimethoxyphenyl)-3-pyridinyl]-methylamino]ethyl-methylamino]-2-pyridinyl]-2,6-dimethoxyphenyl]ethanone
SMILESCOc1cc(-c2ccc(N(C)CCN(C)c3ccc(-c4cc(OC)c(C(C)=O)c(OC)c4)nc3)cn2)cc(OC)c1C(C)=O
InChIInChI=1S/C34H38N4O6/c1-21(39)33-29(41-5)15-23(16-30(33)42-6)27-11-9-25(19-35-27)37(3)13-14-38(4)26-10-12-28(36-20-26)24-17-31(43-7)34(22(2)40)32(18-24)44-8/h9-12,15-20H,13-14H2,1-8H3
InChIKeyZQBMXXBZDKENCF-UHFFFAOYSA-N
MW598.70 g/mol
LogP5.82
Rot. Bonds13

About 1-[4-[5-[2-[[6-(4-acetyl-3,5-dimethoxyphenyl)-3-pyridinyl]-methylamino]ethyl-methylamino]-2-pyridinyl]-2,6-dimethoxyphenyl]ethanone

1-[4-[5-[2-[[6-(4-acetyl-3,5-dimethoxyphenyl)-3-pyridinyl]-methylamino]ethyl-methylamino]-2-pyridinyl]-2,6-dimethoxyphenyl]ethanone (PubChem CID 22485511) has the molecular formula C34H38N4O6 and a molecular weight of 598.70 g/mol. Its IUPAC name is 1-[4-[5-[2-[[6-(4-acetyl-3,5-dimethoxyphenyl)-3-pyridinyl]-methylamino]ethyl-methylamino]-2-pyridinyl]-2,6-dimethoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[5-[2-[[6-(4-acetyl-3,5-dimethoxyphenyl)-3-pyridinyl]-methylamino]ethyl-methylamino]-2-pyridinyl]-2,6-dimethoxyphenyl]ethanone
PubChem CID22485511
Molecular FormulaC34H38N4O6
Molecular Weight598.70 g/mol
Exact Mass598.28
IUPAC Name1-[4-[5-[2-[[6-(4-acetyl-3,5-dimethoxyphenyl)-3-pyridinyl]-methylamino]ethyl-methylamino]-2-pyridinyl]-2,6-dimethoxyphenyl]ethanone
SMILESCOc1cc(-c2ccc(N(C)CCN(C)c3ccc(-c4cc(OC)c(C(C)=O)c(OC)c4)nc3)cn2)cc(OC)c1C(C)=O
InChIInChI=1S/C34H38N4O6/c1-21(39)33-29(41-5)15-23(16-30(33)42-6)27-11-9-25(19-35-27)37(3)13-14-38(4)26-10-12-28(36-20-26)24-17-31(43-7)34(22(2)40)32(18-24)44-8/h9-12,15-20H,13-14H2,1-8H3
InChIKeyZQBMXXBZDKENCF-UHFFFAOYSA-N
XLogP5.82
TPSA103.32 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.70
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-[4-[5-[2-[[6-(4-acetyl-3,5-dimethoxyphenyl)-3-pyridinyl]-methylamino]ethyl-methylamino]-2-pyridinyl]-2,6-dimethoxyphenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[2-[[6-(4-acetyl-3,5-dimethoxyphenyl)-3-pyridinyl]-methylamino]ethyl-methylamino]-2-pyridinyl]-2,6-dimethoxyphenyl]ethanone?
The IUPAC name of 1-[4-[5-[2-[[6-(4-acetyl-3,5-dimethoxyphenyl)-3-pyridinyl]-methylamino]ethyl-methylamino]-2-pyridinyl]-2,6-dimethoxyphenyl]ethanone (CID 22485511) is 1-[4-[5-[2-[[6-(4-acetyl-3,5-dimethoxyphenyl)-3-pyridinyl]-methylamino]ethyl-methylamino]-2-pyridinyl]-2,6-dimethoxyphenyl]ethanone.
What is the SMILES notation for 1-[4-[5-[2-[[6-(4-acetyl-3,5-dimethoxyphenyl)-3-pyridinyl]-methylamino]ethyl-methylamino]-2-pyridinyl]-2,6-dimethoxyphenyl]ethanone?
The canonical SMILES for 1-[4-[5-[2-[[6-(4-acetyl-3,5-dimethoxyphenyl)-3-pyridinyl]-methylamino]ethyl-methylamino]-2-pyridinyl]-2,6-dimethoxyphenyl]ethanone is COc1cc(-c2ccc(N(C)CCN(C)c3ccc(-c4cc(OC)c(C(C)=O)c(OC)c4)nc3)cn2)cc(OC)c1C(C)=O.
What is the InChIKey of 1-[4-[5-[2-[[6-(4-acetyl-3,5-dimethoxyphenyl)-3-pyridinyl]-methylamino]ethyl-methylamino]-2-pyridinyl]-2,6-dimethoxyphenyl]ethanone?
The InChIKey is ZQBMXXBZDKENCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N4O6/c1-21(39)33-29(41-5)15-23(16-30(33)42-6)27-11-9-25(19-35-27)37(3)13-14-38(4)26-10-12-28(36-20-26)24-17-31(43-7)34(22(2)40)32(18-24)44-8/h9-12,15-20H,13-14H2,1-8H3.
What are the key properties of 1-[4-[5-[2-[[6-(4-acetyl-3,5-dimethoxyphenyl)-3-pyridinyl]-methylamino]ethyl-methylamino]-2-pyridinyl]-2,6-dimethoxyphenyl]ethanone?
1-[4-[5-[2-[[6-(4-acetyl-3,5-dimethoxyphenyl)-3-pyridinyl]-methylamino]ethyl-methylamino]-2-pyridinyl]-2,6-dimethoxyphenyl]ethanone has a molecular weight of 598.70 g/mol, XLogP of 5.82, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[2-[[6-(4-acetyl-3,5-dimethoxyphenyl)-3-pyridinyl]-methylamino]ethyl-methylamino]-2-pyridinyl]-2,6-dimethoxyphenyl]ethanone is sourced from PubChem (CID 22485511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).