2-(2,5-dimethyl-1H-indol-3-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide

C21H25N3O2 — CID 49353824

IUPAC2-(2,5-dimethyl-1H-indol-3-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide
SMILESCOc1c(C)cnc(CNC(=O)Cc2c(C)[nH]c3ccc(C)cc23)c1C
InChIInChI=1S/C21H25N3O2/c1-12-6-7-18-17(8-12)16(15(4)24-18)9-20(25)23-11-19-14(3)21(26-5)13(2)10-22-19/h6-8,10,24H,9,11H2,1-5H3,(H,23,25)
InChIKeyFIGAEMGXXAYTQJ-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.66
Rot. Bonds5

About 2-(2,5-dimethyl-1H-indol-3-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide

2-(2,5-dimethyl-1H-indol-3-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide (PubChem CID 49353824) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1H-indol-3-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-1H-indol-3-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide
PubChem CID49353824
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-(2,5-dimethyl-1H-indol-3-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide
SMILESCOc1c(C)cnc(CNC(=O)Cc2c(C)[nH]c3ccc(C)cc23)c1C
InChIInChI=1S/C21H25N3O2/c1-12-6-7-18-17(8-12)16(15(4)24-18)9-20(25)23-11-19-14(3)21(26-5)13(2)10-22-19/h6-8,10,24H,9,11H2,1-5H3,(H,23,25)
InChIKeyFIGAEMGXXAYTQJ-UHFFFAOYSA-N
XLogP3.66
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-5-methylsulfonylbenzamide
CID 49354766
N-(2,4-dimethylphenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212169
2,5-dimethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]benzamide
CID 49354460
2-(2,5-dimethyl-1H-indol-3-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 46464817
N-[(4-cyanophenyl)methyl]-2-(2,5-dimethyl-1H-indol-3-yl)acetamide
CID 46591179
N-cyclohexyl-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212089
1-[(2-ethylphenyl)methyl]-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111636280
N'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 31905462
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 113086198
[3-(4-fluorophenyl)-5-methylphenyl] N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate
CID 138557914
N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 49353764
2-bromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methylaniline
CID 82756625

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1H-indol-3-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(2,5-dimethyl-1H-indol-3-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide (CID 49353824) is 2-(2,5-dimethyl-1H-indol-3-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethyl-1H-indol-3-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(2,5-dimethyl-1H-indol-3-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide is COc1c(C)cnc(CNC(=O)Cc2c(C)[nH]c3ccc(C)cc23)c1C.
What is the InChIKey of 2-(2,5-dimethyl-1H-indol-3-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide?
The InChIKey is FIGAEMGXXAYTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-12-6-7-18-17(8-12)16(15(4)24-18)9-20(25)23-11-19-14(3)21(26-5)13(2)10-22-19/h6-8,10,24H,9,11H2,1-5H3,(H,23,25).
What are the key properties of 2-(2,5-dimethyl-1H-indol-3-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide?
2-(2,5-dimethyl-1H-indol-3-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide has a molecular weight of 351.45 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1H-indol-3-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide is sourced from PubChem (CID 49353824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).