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

C26H27N3O — CID 18832695

IUPACN-(2,3-dimethylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
SMILESCc1ccc2[nH]c(-c3ccccn3)c(CCCC(=O)Nc3cccc(C)c3C)c2c1
InChIInChI=1S/C26H27N3O/c1-17-13-14-23-21(16-17)20(26(29-23)24-10-4-5-15-27-24)9-7-12-25(30)28-22-11-6-8-18(2)19(22)3/h4-6,8,10-11,13-16,29H,7,9,12H2,1-3H3,(H,28,30)
InChIKeyASCLFSJOTHNVPS-UHFFFAOYSA-N
MW397.52 g/mol
LogP6.12
Rot. Bonds6

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

N-(2,3-dimethylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide (PubChem CID 18832695) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
PubChem CID18832695
Molecular FormulaC26H27N3O
Molecular Weight397.52 g/mol
Exact Mass397.22
IUPAC NameN-(2,3-dimethylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
SMILESCc1ccc2[nH]c(-c3ccccn3)c(CCCC(=O)Nc3cccc(C)c3C)c2c1
InChIInChI=1S/C26H27N3O/c1-17-13-14-23-21(16-17)20(26(29-23)24-10-4-5-15-27-24)9-7-12-25(30)28-22-11-6-8-18(2)19(22)3/h4-6,8,10-11,13-16,29H,7,9,12H2,1-3H3,(H,28,30)
InChIKeyASCLFSJOTHNVPS-UHFFFAOYSA-N
XLogP6.12
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 56.12
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

N-(2,3-dimethylphenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18827424
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
ethyl 2-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzoate
CID 18832865
4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-pyridin-4-ylbutanamide
CID 18832718
N-(4-chlorophenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832794
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
4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-(3-nitrophenyl)butanamide
CID 18832791
ethyl 4-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzoate
CID 18832773
N-hexadecyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832762
N-(2-methoxyethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832681

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide (CID 18832695) is N-(2,3-dimethylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide is Cc1ccc2[nH]c(-c3ccccn3)c(CCCC(=O)Nc3cccc(C)c3C)c2c1.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The InChIKey is ASCLFSJOTHNVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O/c1-17-13-14-23-21(16-17)20(26(29-23)24-10-4-5-15-27-24)9-7-12-25(30)28-22-11-6-8-18(2)19(22)3/h4-6,8,10-11,13-16,29H,7,9,12H2,1-3H3,(H,28,30).
What are the key properties of N-(2,3-dimethylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
N-(2,3-dimethylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide has a molecular weight of 397.52 g/mol, XLogP of 6.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide is sourced from PubChem (CID 18832695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).