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

C25H25N3O — CID 18827424

IUPACN-(2,3-dimethylphenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
SMILESCc1cccc(NC(=O)CCCc2c(-c3ccccn3)[nH]c3ccccc23)c1C
InChIInChI=1S/C25H25N3O/c1-17-9-7-14-21(18(17)2)27-24(29)15-8-11-20-19-10-3-4-12-22(19)28-25(20)23-13-5-6-16-26-23/h3-7,9-10,12-14,16,28H,8,11,15H2,1-2H3,(H,27,29)
InChIKeyUFZNLWYOZLGYPJ-UHFFFAOYSA-N
MW383.50 g/mol
LogP5.81
Rot. Bonds6

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

N-(2,3-dimethylphenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide (PubChem CID 18827424) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
PubChem CID18827424
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC NameN-(2,3-dimethylphenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
SMILESCc1cccc(NC(=O)CCCc2c(-c3ccccn3)[nH]c3ccccc23)c1C
InChIInChI=1S/C25H25N3O/c1-17-9-7-14-21(18(17)2)27-24(29)15-8-11-20-19-10-3-4-12-22(19)28-25(20)23-13-5-6-16-26-23/h3-7,9-10,12-14,16,28H,8,11,15H2,1-2H3,(H,27,29)
InChIKeyUFZNLWYOZLGYPJ-UHFFFAOYSA-N
XLogP5.81
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 55.81
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-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832695
N-pyridin-2-yl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18846778
N-(2,6-dichlorophenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18827573
N-(2,5-dichlorophenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18827506
N-(3-methyl-2-pyridinyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832689
ethyl 2-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzoate
CID 18832865
ethyl 2-[4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzoate
CID 18833262
4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 18833128
N-cyclohexyl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18827474
N-(3-acetylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832735
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

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide (CID 18827424) is N-(2,3-dimethylphenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide is Cc1cccc(NC(=O)CCCc2c(-c3ccccn3)[nH]c3ccccc23)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The InChIKey is UFZNLWYOZLGYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-17-9-7-14-21(18(17)2)27-24(29)15-8-11-20-19-10-3-4-12-22(19)28-25(20)23-13-5-6-16-26-23/h3-7,9-10,12-14,16,28H,8,11,15H2,1-2H3,(H,27,29).
What are the key properties of N-(2,3-dimethylphenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide?
N-(2,3-dimethylphenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide has a molecular weight of 383.50 g/mol, XLogP of 5.81, 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-(2-pyridin-2-yl-1H-indol-3-yl)butanamide is sourced from PubChem (CID 18827424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).