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

C34H51N3O — CID 18832762

IUPACN-hexadecyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
SMILESCCCCCCCCCCCCCCCCNC(=O)CCCc1c(-c2ccccn2)[nH]c2ccc(C)cc12
InChIInChI=1S/C34H51N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-26-36-33(38)22-19-20-29-30-27-28(2)23-24-31(30)37-34(29)32-21-16-18-25-35-32/h16,18,21,23-25,27,37H,3-15,17,19-20,22,26H2,1-2H3,(H,36,38)
InChIKeyBZIQCRKWTUZUOI-UHFFFAOYSA-N
MW517.80 g/mol
LogP9.46
Rot. Bonds20

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

N-hexadecyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide (PubChem CID 18832762) has the molecular formula C34H51N3O and a molecular weight of 517.80 g/mol. Its IUPAC name is N-hexadecyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-hexadecyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
PubChem CID18832762
Molecular FormulaC34H51N3O
Molecular Weight517.80 g/mol
Exact Mass517.40
IUPAC NameN-hexadecyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
SMILESCCCCCCCCCCCCCCCCNC(=O)CCCc1c(-c2ccccn2)[nH]c2ccc(C)cc12
InChIInChI=1S/C34H51N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-26-36-33(38)22-19-20-29-30-27-28(2)23-24-31(30)37-34(29)32-21-16-18-25-35-32/h16,18,21,23-25,27,37H,3-15,17,19-20,22,26H2,1-2H3,(H,36,38)
InChIKeyBZIQCRKWTUZUOI-UHFFFAOYSA-N
XLogP9.46
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.80
LogP ≤ 59.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-hexadecyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832681
N-butyl-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18833140
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-(furan-2-ylmethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832771
4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-pyridin-4-ylbutanamide
CID 18832718
N-(3-methyl-2-pyridinyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832689
N-(3-acetylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832735
N-(4-chlorophenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832794
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
ethyl 2-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzoate
CID 18832865

Frequently Asked Questions

What is the IUPAC name of N-hexadecyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The IUPAC name of N-hexadecyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide (CID 18832762) is N-hexadecyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide.
What is the SMILES notation for N-hexadecyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The canonical SMILES for N-hexadecyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide is CCCCCCCCCCCCCCCCNC(=O)CCCc1c(-c2ccccn2)[nH]c2ccc(C)cc12.
What is the InChIKey of N-hexadecyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The InChIKey is BZIQCRKWTUZUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H51N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-26-36-33(38)22-19-20-29-30-27-28(2)23-24-31(30)37-34(29)32-21-16-18-25-35-32/h16,18,21,23-25,27,37H,3-15,17,19-20,22,26H2,1-2H3,(H,36,38).
What are the key properties of N-hexadecyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
N-hexadecyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide has a molecular weight of 517.80 g/mol, XLogP of 9.46, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexadecyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide is sourced from PubChem (CID 18832762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).