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

C26H27N3O — CID 18832831

IUPACN-benzyl-N-methyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
SMILESCc1ccc2[nH]c(-c3ccccn3)c(CCCC(=O)N(C)Cc3ccccc3)c2c1
InChIInChI=1S/C26H27N3O/c1-19-14-15-23-22(17-19)21(26(28-23)24-12-6-7-16-27-24)11-8-13-25(30)29(2)18-20-9-4-3-5-10-20/h3-7,9-10,12,14-17,28H,8,11,13,18H2,1-2H3
InChIKeyZNZONJPKQRZCNA-UHFFFAOYSA-N
MW397.52 g/mol
LogP5.52
Rot. Bonds7

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

N-benzyl-N-methyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide (PubChem CID 18832831) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is N-benzyl-N-methyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
PubChem CID18832831
Molecular FormulaC26H27N3O
Molecular Weight397.52 g/mol
Exact Mass397.22
IUPAC NameN-benzyl-N-methyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
SMILESCc1ccc2[nH]c(-c3ccccn3)c(CCCC(=O)N(C)Cc3ccccc3)c2c1
InChIInChI=1S/C26H27N3O/c1-19-14-15-23-22(17-19)21(26(28-23)24-12-6-7-16-27-24)11-8-13-25(30)29(2)18-20-9-4-3-5-10-20/h3-7,9-10,12,14-17,28H,8,11,13,18H2,1-2H3
InChIKeyZNZONJPKQRZCNA-UHFFFAOYSA-N
XLogP5.52
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The IUPAC name of N-benzyl-N-methyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide (CID 18832831) is N-benzyl-N-methyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide.
What is the SMILES notation for N-benzyl-N-methyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The canonical SMILES for N-benzyl-N-methyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide is Cc1ccc2[nH]c(-c3ccccn3)c(CCCC(=O)N(C)Cc3ccccc3)c2c1.
What is the InChIKey of N-benzyl-N-methyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The InChIKey is ZNZONJPKQRZCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O/c1-19-14-15-23-22(17-19)21(26(28-23)24-12-6-7-16-27-24)11-8-13-25(30)29(2)18-20-9-4-3-5-10-20/h3-7,9-10,12,14-17,28H,8,11,13,18H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
N-benzyl-N-methyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide has a molecular weight of 397.52 g/mol, XLogP of 5.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide is sourced from PubChem (CID 18832831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).