6-(1,3-dihydroisoindol-2-yl)-2-(2-methylpropoxy)pyridin-3-amine

C17H21N3O — CID 62205009

IUPAC6-(1,3-dihydroisoindol-2-yl)-2-(2-methylpropoxy)pyridin-3-amine
SMILESCC(C)COc1nc(N2Cc3ccccc3C2)ccc1N
InChIInChI=1S/C17H21N3O/c1-12(2)11-21-17-15(18)7-8-16(19-17)20-9-13-5-3-4-6-14(13)10-20/h3-8,12H,9-11,18H2,1-2H3
InChIKeyPSSBYHBUBTWZIO-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.22
Rot. Bonds4

About 6-(1,3-dihydroisoindol-2-yl)-2-(2-methylpropoxy)pyridin-3-amine

6-(1,3-dihydroisoindol-2-yl)-2-(2-methylpropoxy)pyridin-3-amine (PubChem CID 62205009) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 6-(1,3-dihydroisoindol-2-yl)-2-(2-methylpropoxy)pyridin-3-amine.

Molecular Properties

Compound Name6-(1,3-dihydroisoindol-2-yl)-2-(2-methylpropoxy)pyridin-3-amine
PubChem CID62205009
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name6-(1,3-dihydroisoindol-2-yl)-2-(2-methylpropoxy)pyridin-3-amine
SMILESCC(C)COc1nc(N2Cc3ccccc3C2)ccc1N
InChIInChI=1S/C17H21N3O/c1-12(2)11-21-17-15(18)7-8-16(19-17)20-9-13-5-3-4-6-14(13)10-20/h3-8,12H,9-11,18H2,1-2H3
InChIKeyPSSBYHBUBTWZIO-UHFFFAOYSA-N
XLogP3.22
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dihydroisoindol-2-yl)-2-(2-methylpropoxy)pyridin-3-amine?
The IUPAC name of 6-(1,3-dihydroisoindol-2-yl)-2-(2-methylpropoxy)pyridin-3-amine (CID 62205009) is 6-(1,3-dihydroisoindol-2-yl)-2-(2-methylpropoxy)pyridin-3-amine.
What is the SMILES notation for 6-(1,3-dihydroisoindol-2-yl)-2-(2-methylpropoxy)pyridin-3-amine?
The canonical SMILES for 6-(1,3-dihydroisoindol-2-yl)-2-(2-methylpropoxy)pyridin-3-amine is CC(C)COc1nc(N2Cc3ccccc3C2)ccc1N.
What is the InChIKey of 6-(1,3-dihydroisoindol-2-yl)-2-(2-methylpropoxy)pyridin-3-amine?
The InChIKey is PSSBYHBUBTWZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12(2)11-21-17-15(18)7-8-16(19-17)20-9-13-5-3-4-6-14(13)10-20/h3-8,12H,9-11,18H2,1-2H3.
What are the key properties of 6-(1,3-dihydroisoindol-2-yl)-2-(2-methylpropoxy)pyridin-3-amine?
6-(1,3-dihydroisoindol-2-yl)-2-(2-methylpropoxy)pyridin-3-amine has a molecular weight of 283.38 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dihydroisoindol-2-yl)-2-(2-methylpropoxy)pyridin-3-amine is sourced from PubChem (CID 62205009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).