4-[5-methoxy-2-(2-methoxy-3-pyridinyl)-7-methyl-1H-indol-3-yl]butan-1-amine

C20H25N3O2 — CID 3380533

IUPAC4-[5-methoxy-2-(2-methoxy-3-pyridinyl)-7-methyl-1H-indol-3-yl]butan-1-amine
SMILESCOc1cc(C)c2[nH]c(-c3cccnc3OC)c(CCCCN)c2c1
InChIInChI=1S/C20H25N3O2/c1-13-11-14(24-2)12-17-15(7-4-5-9-21)19(23-18(13)17)16-8-6-10-22-20(16)25-3/h6,8,10-12,23H,4-5,7,9,21H2,1-3H3
InChIKeyUYPUSVWGRMZFBT-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.84
Rot. Bonds7

About 4-[5-methoxy-2-(2-methoxy-3-pyridinyl)-7-methyl-1H-indol-3-yl]butan-1-amine

4-[5-methoxy-2-(2-methoxy-3-pyridinyl)-7-methyl-1H-indol-3-yl]butan-1-amine (PubChem CID 3380533) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-[5-methoxy-2-(2-methoxy-3-pyridinyl)-7-methyl-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[5-methoxy-2-(2-methoxy-3-pyridinyl)-7-methyl-1H-indol-3-yl]butan-1-amine
PubChem CID3380533
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-[5-methoxy-2-(2-methoxy-3-pyridinyl)-7-methyl-1H-indol-3-yl]butan-1-amine
SMILESCOc1cc(C)c2[nH]c(-c3cccnc3OC)c(CCCCN)c2c1
InChIInChI=1S/C20H25N3O2/c1-13-11-14(24-2)12-17-15(7-4-5-9-21)19(23-18(13)17)16-8-6-10-22-20(16)25-3/h6,8,10-12,23H,4-5,7,9,21H2,1-3H3
InChIKeyUYPUSVWGRMZFBT-UHFFFAOYSA-N
XLogP3.84
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[5-methoxy-2-(2-methoxy-3-pyridinyl)-7-methyl-1H-indol-3-yl]butan-1-amine with MolForge

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Related Compounds

4-[2-(5-bromoquinolin-8-yl)-5-methoxy-7-methyl-1H-indol-3-yl]butan-1-amine
CID 3331930
4-[5-bromo-2-(2-methoxy-3-pyridinyl)-1H-indol-3-yl]butan-1-amine
CID 3982849
4-[2-(2-methoxy-3-pyridinyl)-5-phenyl-1H-indol-3-yl]butan-1-amine
CID 3936271
4-[2-(2-methoxy-3-methylphenyl)-5,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 3991450
4-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 4566691
4-[2-(3-chloro-2-pyridinyl)-5,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 3434232
4-[2-(2,3-dimethoxyphenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 4214505
4-(5-chloro-7-methyl-2-pyridin-2-yl-1H-indol-3-yl)butan-1-amine
CID 3574352
4-[2-(2-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]butan-1-amine
CID 4237687
4-[5,7-dichloro-2-(2-methoxy-3-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 4222400
4-[6,7-dichloro-2-(8-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine
CID 3502542
4-[2-(3-chloro-4-pyridinyl)-5,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 4689864

Frequently Asked Questions

What is the IUPAC name of 4-[5-methoxy-2-(2-methoxy-3-pyridinyl)-7-methyl-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[5-methoxy-2-(2-methoxy-3-pyridinyl)-7-methyl-1H-indol-3-yl]butan-1-amine (CID 3380533) is 4-[5-methoxy-2-(2-methoxy-3-pyridinyl)-7-methyl-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[5-methoxy-2-(2-methoxy-3-pyridinyl)-7-methyl-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[5-methoxy-2-(2-methoxy-3-pyridinyl)-7-methyl-1H-indol-3-yl]butan-1-amine is COc1cc(C)c2[nH]c(-c3cccnc3OC)c(CCCCN)c2c1.
What is the InChIKey of 4-[5-methoxy-2-(2-methoxy-3-pyridinyl)-7-methyl-1H-indol-3-yl]butan-1-amine?
The InChIKey is UYPUSVWGRMZFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-13-11-14(24-2)12-17-15(7-4-5-9-21)19(23-18(13)17)16-8-6-10-22-20(16)25-3/h6,8,10-12,23H,4-5,7,9,21H2,1-3H3.
What are the key properties of 4-[5-methoxy-2-(2-methoxy-3-pyridinyl)-7-methyl-1H-indol-3-yl]butan-1-amine?
4-[5-methoxy-2-(2-methoxy-3-pyridinyl)-7-methyl-1H-indol-3-yl]butan-1-amine has a molecular weight of 339.44 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methoxy-2-(2-methoxy-3-pyridinyl)-7-methyl-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 3380533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).