N-(2-methoxyethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide

C21H25N3O2 — CID 18832681

IUPACN-(2-methoxyethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
SMILESCOCCNC(=O)CCCc1c(-c2ccccn2)[nH]c2ccc(C)cc12
InChIInChI=1S/C21H25N3O2/c1-15-9-10-18-17(14-15)16(6-5-8-20(25)23-12-13-26-2)21(24-18)19-7-3-4-11-22-19/h3-4,7,9-11,14,24H,5-6,8,12-13H2,1-2H3,(H,23,25)
InChIKeyYKRFNBUWQNIHJC-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.62
Rot. Bonds8

About N-(2-methoxyethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide

N-(2-methoxyethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide (PubChem CID 18832681) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
PubChem CID18832681
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-(2-methoxyethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
SMILESCOCCNC(=O)CCCc1c(-c2ccccn2)[nH]c2ccc(C)cc12
InChIInChI=1S/C21H25N3O2/c1-15-9-10-18-17(14-15)16(6-5-8-20(25)23-12-13-26-2)21(24-18)19-7-3-4-11-22-19/h3-4,7,9-11,14,24H,5-6,8,12-13H2,1-2H3,(H,23,25)
InChIKeyYKRFNBUWQNIHJC-UHFFFAOYSA-N
XLogP3.62
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The IUPAC name of N-(2-methoxyethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide (CID 18832681) is N-(2-methoxyethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The canonical SMILES for N-(2-methoxyethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide is COCCNC(=O)CCCc1c(-c2ccccn2)[nH]c2ccc(C)cc12.
What is the InChIKey of N-(2-methoxyethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The InChIKey is YKRFNBUWQNIHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15-9-10-18-17(14-15)16(6-5-8-20(25)23-12-13-26-2)21(24-18)19-7-3-4-11-22-19/h3-4,7,9-11,14,24H,5-6,8,12-13H2,1-2H3,(H,23,25).
What are the key properties of N-(2-methoxyethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
N-(2-methoxyethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide has a molecular weight of 351.45 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide is sourced from PubChem (CID 18832681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).