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

C25H25N3O — CID 18832746

IUPACN-benzyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
SMILESCc1ccc2[nH]c(-c3ccccn3)c(CCCC(=O)NCc3ccccc3)c2c1
InChIInChI=1S/C25H25N3O/c1-18-13-14-22-21(16-18)20(25(28-22)23-11-5-6-15-26-23)10-7-12-24(29)27-17-19-8-3-2-4-9-19/h2-6,8-9,11,13-16,28H,7,10,12,17H2,1H3,(H,27,29)
InChIKeyWQTGEYCVMYBASA-UHFFFAOYSA-N
MW383.50 g/mol
LogP5.18
Rot. Bonds7

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

N-benzyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide (PubChem CID 18832746) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is N-benzyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-benzyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
PubChem CID18832746
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC NameN-benzyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
SMILESCc1ccc2[nH]c(-c3ccccn3)c(CCCC(=O)NCc3ccccc3)c2c1
InChIInChI=1S/C25H25N3O/c1-18-13-14-22-21(16-18)20(25(28-22)23-11-5-6-15-26-23)10-7-12-24(29)27-17-19-8-3-2-4-9-19/h2-6,8-9,11,13-16,28H,7,10,12,17H2,1H3,(H,27,29)
InChIKeyWQTGEYCVMYBASA-UHFFFAOYSA-N
XLogP5.18
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-prop-2-enylbutanamide
CID 18832745
N-hexadecyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832762
N-(furan-2-ylmethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832771
N-(2-methoxyethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832681
4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-pyridin-4-ylbutanamide
CID 18832718
N-benzyl-N-methyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832831
N-(3-methyl-2-pyridinyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832689
N-(4-chlorophenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832794
N-(3-acetylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832735
N-(2,3-dimethylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832695
ethyl 4-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzoate
CID 18832773
4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)butanamide
CID 18846980

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The IUPAC name of N-benzyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide (CID 18832746) is N-benzyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide.
What is the SMILES notation for N-benzyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The canonical SMILES for N-benzyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide is Cc1ccc2[nH]c(-c3ccccn3)c(CCCC(=O)NCc3ccccc3)c2c1.
What is the InChIKey of N-benzyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The InChIKey is WQTGEYCVMYBASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-18-13-14-22-21(16-18)20(25(28-22)23-11-5-6-15-26-23)10-7-12-24(29)27-17-19-8-3-2-4-9-19/h2-6,8-9,11,13-16,28H,7,10,12,17H2,1H3,(H,27,29).
What are the key properties of N-benzyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
N-benzyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide has a molecular weight of 383.50 g/mol, XLogP of 5.18, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide is sourced from PubChem (CID 18832746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).