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

C26H25N3O2 — CID 18832735

IUPACN-(3-acetylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
SMILESCC(=O)c1cccc(NC(=O)CCCc2c(-c3ccccn3)[nH]c3ccc(C)cc23)c1
InChIInChI=1S/C26H25N3O2/c1-17-12-13-23-22(15-17)21(26(29-23)24-10-3-4-14-27-24)9-6-11-25(31)28-20-8-5-7-19(16-20)18(2)30/h3-5,7-8,10,12-16,29H,6,9,11H2,1-2H3,(H,28,31)
InChIKeyUGTHGMXJAOMDSF-UHFFFAOYSA-N
MW411.51 g/mol
LogP5.70
Rot. Bonds7

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

N-(3-acetylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide (PubChem CID 18832735) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
PubChem CID18832735
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC NameN-(3-acetylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
SMILESCC(=O)c1cccc(NC(=O)CCCc2c(-c3ccccn3)[nH]c3ccc(C)cc23)c1
InChIInChI=1S/C26H25N3O2/c1-17-12-13-23-22(15-17)21(26(29-23)24-10-3-4-14-27-24)9-6-11-25(31)28-20-8-5-7-19(16-20)18(2)30/h3-5,7-8,10,12-16,29H,6,9,11H2,1-2H3,(H,28,31)
InChIKeyUGTHGMXJAOMDSF-UHFFFAOYSA-N
XLogP5.70
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 55.70
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

4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-pyridin-4-ylbutanamide
CID 18832718
4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-(3-nitrophenyl)butanamide
CID 18832791
N-(4-chlorophenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832794
N-(3-acetylphenyl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18847024
N-(2,3-dimethylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832695
N-(3-methyl-2-pyridinyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832689
ethyl 4-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzoate
CID 18832773
N-benzyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832746
4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-prop-2-enylbutanamide
CID 18832745
N-(3-chlorophenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18833186
4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(3-methoxyphenyl)butanamide
CID 18832923
N-hexadecyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832762

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The IUPAC name of N-(3-acetylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide (CID 18832735) is N-(3-acetylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The canonical SMILES for N-(3-acetylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide is CC(=O)c1cccc(NC(=O)CCCc2c(-c3ccccn3)[nH]c3ccc(C)cc23)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The InChIKey is UGTHGMXJAOMDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-17-12-13-23-22(15-17)21(26(29-23)24-10-3-4-14-27-24)9-6-11-25(31)28-20-8-5-7-19(16-20)18(2)30/h3-5,7-8,10,12-16,29H,6,9,11H2,1-2H3,(H,28,31).
What are the key properties of N-(3-acetylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
N-(3-acetylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide has a molecular weight of 411.51 g/mol, XLogP of 5.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide is sourced from PubChem (CID 18832735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).