5-butan-2-yl-2-pyridin-2-yl-2,3-dihydro-1H-indole

C17H20N2 — CID 3531352

IUPAC5-butan-2-yl-2-pyridin-2-yl-2,3-dihydro-1H-indole
SMILESCCC(C)c1ccc2c(c1)CC(c1ccccn1)N2
InChIInChI=1S/C17H20N2/c1-3-12(2)13-7-8-15-14(10-13)11-17(19-15)16-6-4-5-9-18-16/h4-10,12,17,19H,3,11H2,1-2H3
InChIKeyIMKMGAPLSQFCKP-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.30
Rot. Bonds3

About 5-butan-2-yl-2-pyridin-2-yl-2,3-dihydro-1H-indole

5-butan-2-yl-2-pyridin-2-yl-2,3-dihydro-1H-indole (PubChem CID 3531352) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-butan-2-yl-2-pyridin-2-yl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-butan-2-yl-2-pyridin-2-yl-2,3-dihydro-1H-indole
PubChem CID3531352
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name5-butan-2-yl-2-pyridin-2-yl-2,3-dihydro-1H-indole
SMILESCCC(C)c1ccc2c(c1)CC(c1ccccn1)N2
InChIInChI=1S/C17H20N2/c1-3-12(2)13-7-8-15-14(10-13)11-17(19-15)16-6-4-5-9-18-16/h4-10,12,17,19H,3,11H2,1-2H3
InChIKeyIMKMGAPLSQFCKP-UHFFFAOYSA-N
XLogP4.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-butan-2-yl-2-pyridin-2-yl-2,3-dihydro-1H-indole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-pyridin-2-yl-2,3-dihydro-1H-indole?
The IUPAC name of 5-butan-2-yl-2-pyridin-2-yl-2,3-dihydro-1H-indole (CID 3531352) is 5-butan-2-yl-2-pyridin-2-yl-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-butan-2-yl-2-pyridin-2-yl-2,3-dihydro-1H-indole?
The canonical SMILES for 5-butan-2-yl-2-pyridin-2-yl-2,3-dihydro-1H-indole is CCC(C)c1ccc2c(c1)CC(c1ccccn1)N2.
What is the InChIKey of 5-butan-2-yl-2-pyridin-2-yl-2,3-dihydro-1H-indole?
The InChIKey is IMKMGAPLSQFCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-3-12(2)13-7-8-15-14(10-13)11-17(19-15)16-6-4-5-9-18-16/h4-10,12,17,19H,3,11H2,1-2H3.
What are the key properties of 5-butan-2-yl-2-pyridin-2-yl-2,3-dihydro-1H-indole?
5-butan-2-yl-2-pyridin-2-yl-2,3-dihydro-1H-indole has a molecular weight of 252.36 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-pyridin-2-yl-2,3-dihydro-1H-indole is sourced from PubChem (CID 3531352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).