1-[3-(2-aminoethyl)-6-pyridin-4-ylindol-1-yl]-2,2-dimethylpropan-1-one

C20H23N3O — CID 166911646

IUPAC1-[3-(2-aminoethyl)-6-pyridin-4-ylindol-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)n1cc(CCN)c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C20H23N3O/c1-20(2,3)19(24)23-13-16(6-9-21)17-5-4-15(12-18(17)23)14-7-10-22-11-8-14/h4-5,7-8,10-13H,6,9,21H2,1-3H3
InChIKeyCSCYNONQEVVYEH-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.89
Rot. Bonds3

About 1-[3-(2-aminoethyl)-6-pyridin-4-ylindol-1-yl]-2,2-dimethylpropan-1-one

1-[3-(2-aminoethyl)-6-pyridin-4-ylindol-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 166911646) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-[3-(2-aminoethyl)-6-pyridin-4-ylindol-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[3-(2-aminoethyl)-6-pyridin-4-ylindol-1-yl]-2,2-dimethylpropan-1-one
PubChem CID166911646
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name1-[3-(2-aminoethyl)-6-pyridin-4-ylindol-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)n1cc(CCN)c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C20H23N3O/c1-20(2,3)19(24)23-13-16(6-9-21)17-5-4-15(12-18(17)23)14-7-10-22-11-8-14/h4-5,7-8,10-13H,6,9,21H2,1-3H3
InChIKeyCSCYNONQEVVYEH-UHFFFAOYSA-N
XLogP3.89
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminoethyl)-6-pyridin-4-ylindol-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[3-(2-aminoethyl)-6-pyridin-4-ylindol-1-yl]-2,2-dimethylpropan-1-one (CID 166911646) is 1-[3-(2-aminoethyl)-6-pyridin-4-ylindol-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[3-(2-aminoethyl)-6-pyridin-4-ylindol-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[3-(2-aminoethyl)-6-pyridin-4-ylindol-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)n1cc(CCN)c2ccc(-c3ccncc3)cc21.
What is the InChIKey of 1-[3-(2-aminoethyl)-6-pyridin-4-ylindol-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is CSCYNONQEVVYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-20(2,3)19(24)23-13-16(6-9-21)17-5-4-15(12-18(17)23)14-7-10-22-11-8-14/h4-5,7-8,10-13H,6,9,21H2,1-3H3.
What are the key properties of 1-[3-(2-aminoethyl)-6-pyridin-4-ylindol-1-yl]-2,2-dimethylpropan-1-one?
1-[3-(2-aminoethyl)-6-pyridin-4-ylindol-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 321.42 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminoethyl)-6-pyridin-4-ylindol-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 166911646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).