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

C25H25N3O — CID 18827558

IUPACN-benzyl-N-methyl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
SMILESCN(Cc1ccccc1)C(=O)CCCc1c(-c2ccccn2)[nH]c2ccccc12
InChIInChI=1S/C25H25N3O/c1-28(18-19-10-3-2-4-11-19)24(29)16-9-13-21-20-12-5-6-14-22(20)27-25(21)23-15-7-8-17-26-23/h2-8,10-12,14-15,17,27H,9,13,16,18H2,1H3
InChIKeyYOIQOTFBUHDWDB-UHFFFAOYSA-N
MW383.50 g/mol
LogP5.21
Rot. Bonds7

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

N-benzyl-N-methyl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide (PubChem CID 18827558) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is N-benzyl-N-methyl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
PubChem CID18827558
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC NameN-benzyl-N-methyl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
SMILESCN(Cc1ccccc1)C(=O)CCCc1c(-c2ccccn2)[nH]c2ccccc12
InChIInChI=1S/C25H25N3O/c1-28(18-19-10-3-2-4-11-19)24(29)16-9-13-21-20-12-5-6-14-22(20)27-25(21)23-15-7-8-17-26-23/h2-8,10-12,14-15,17,27H,9,13,16,18H2,1H3
InChIKeyYOIQOTFBUHDWDB-UHFFFAOYSA-N
XLogP5.21
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 55.21
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-(2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The IUPAC name of N-benzyl-N-methyl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide (CID 18827558) is N-benzyl-N-methyl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide.
What is the SMILES notation for N-benzyl-N-methyl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The canonical SMILES for N-benzyl-N-methyl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide is CN(Cc1ccccc1)C(=O)CCCc1c(-c2ccccn2)[nH]c2ccccc12.
What is the InChIKey of N-benzyl-N-methyl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The InChIKey is YOIQOTFBUHDWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-28(18-19-10-3-2-4-11-19)24(29)16-9-13-21-20-12-5-6-14-22(20)27-25(21)23-15-7-8-17-26-23/h2-8,10-12,14-15,17,27H,9,13,16,18H2,1H3.
What are the key properties of N-benzyl-N-methyl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide?
N-benzyl-N-methyl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide has a molecular weight of 383.50 g/mol, XLogP of 5.21, 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-(2-pyridin-2-yl-1H-indol-3-yl)butanamide is sourced from PubChem (CID 18827558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).