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

C19H21N3O — CID 166912309

IUPAC1-[3-(aminomethyl)-6-pyridin-4-ylindol-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)n1cc(CN)c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C19H21N3O/c1-19(2,3)18(23)22-12-15(11-20)16-5-4-14(10-17(16)22)13-6-8-21-9-7-13/h4-10,12H,11,20H2,1-3H3
InChIKeyFXQYOLIZCUDIDS-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.85
Rot. Bonds2

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

1-[3-(aminomethyl)-6-pyridin-4-ylindol-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 166912309) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-[3-(aminomethyl)-6-pyridin-4-ylindol-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[3-(aminomethyl)-6-pyridin-4-ylindol-1-yl]-2,2-dimethylpropan-1-one
PubChem CID166912309
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name1-[3-(aminomethyl)-6-pyridin-4-ylindol-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)n1cc(CN)c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C19H21N3O/c1-19(2,3)18(23)22-12-15(11-20)16-5-4-14(10-17(16)22)13-6-8-21-9-7-13/h4-10,12H,11,20H2,1-3H3
InChIKeyFXQYOLIZCUDIDS-UHFFFAOYSA-N
XLogP3.85
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)-6-pyridin-4-ylindol-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[3-(aminomethyl)-6-pyridin-4-ylindol-1-yl]-2,2-dimethylpropan-1-one (CID 166912309) is 1-[3-(aminomethyl)-6-pyridin-4-ylindol-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[3-(aminomethyl)-6-pyridin-4-ylindol-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[3-(aminomethyl)-6-pyridin-4-ylindol-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)n1cc(CN)c2ccc(-c3ccncc3)cc21.
What is the InChIKey of 1-[3-(aminomethyl)-6-pyridin-4-ylindol-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is FXQYOLIZCUDIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-19(2,3)18(23)22-12-15(11-20)16-5-4-14(10-17(16)22)13-6-8-21-9-7-13/h4-10,12H,11,20H2,1-3H3.
What are the key properties of 1-[3-(aminomethyl)-6-pyridin-4-ylindol-1-yl]-2,2-dimethylpropan-1-one?
1-[3-(aminomethyl)-6-pyridin-4-ylindol-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 307.40 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)-6-pyridin-4-ylindol-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 166912309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).