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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Related Compounds

6-(4-methylpiperidin-1-yl)-2-(2-methylpropoxy)pyridin-3-amine
CID 43260529
6-(3-methylpiperidin-1-yl)-2-(2-methylpropoxy)pyridin-3-amine
CID 43260582
1-[5-amino-6-(2-methylpropoxy)-2-pyridinyl]-4-methylpiperidin-3-ol
CID 102955460
6-(3-methylmorpholin-4-yl)-2-(2-methylpropoxy)pyridin-3-amine
CID 43541828
2-N-(4-methylpiperazin-1-yl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 83005376
1-[5-amino-6-(2-methylpropoxy)-2-pyridinyl]pyrazole-3-carboxamide
CID 64783006
4-(5-amino-6-ethoxy-2-pyridinyl)piperazine-2,6-dione
CID 66084677
1-[5-amino-6-(2-methylpropoxy)-2-pyridinyl]-N-methylpyrazole-3-carboxamide
CID 64781700
2-propan-2-yloxy-6-(4-propan-2-ylpiperazin-1-yl)pyridin-3-amine
CID 43585063
6-(2-methylpropoxy)-2-N-(1-methylpyrazol-4-yl)pyridine-2,5-diamine
CID 79770641
3-(2-methylpropoxy)quinoxalin-2-amine
CID 102987688
2-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol
CID 43498930

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).