1,3-dihydroisoindol-2-yl-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methanone

C18H21N3O2 — CID 86786417

IUPAC1,3-dihydroisoindol-2-yl-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methanone
SMILESCN(C)CCOc1cc(C(=O)N2Cc3ccccc3C2)ccn1
InChIInChI=1S/C18H21N3O2/c1-20(2)9-10-23-17-11-14(7-8-19-17)18(22)21-12-15-5-3-4-6-16(15)13-21/h3-8,11H,9-10,12-13H2,1-2H3
InChIKeyPCNZSLTXHPCALC-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.18
Rot. Bonds5

About 1,3-dihydroisoindol-2-yl-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methanone

1,3-dihydroisoindol-2-yl-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methanone (PubChem CID 86786417) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 1,3-dihydroisoindol-2-yl-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methanone.

Molecular Properties

Compound Name1,3-dihydroisoindol-2-yl-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methanone
PubChem CID86786417
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name1,3-dihydroisoindol-2-yl-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methanone
SMILESCN(C)CCOc1cc(C(=O)N2Cc3ccccc3C2)ccn1
InChIInChI=1S/C18H21N3O2/c1-20(2)9-10-23-17-11-14(7-8-19-17)18(22)21-12-15-5-3-4-6-16(15)13-21/h3-8,11H,9-10,12-13H2,1-2H3
InChIKeyPCNZSLTXHPCALC-UHFFFAOYSA-N
XLogP2.18
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroisoindol-2-yl-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methanone?
The IUPAC name of 1,3-dihydroisoindol-2-yl-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methanone (CID 86786417) is 1,3-dihydroisoindol-2-yl-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methanone.
What is the SMILES notation for 1,3-dihydroisoindol-2-yl-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methanone?
The canonical SMILES for 1,3-dihydroisoindol-2-yl-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methanone is CN(C)CCOc1cc(C(=O)N2Cc3ccccc3C2)ccn1.
What is the InChIKey of 1,3-dihydroisoindol-2-yl-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methanone?
The InChIKey is PCNZSLTXHPCALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-20(2)9-10-23-17-11-14(7-8-19-17)18(22)21-12-15-5-3-4-6-16(15)13-21/h3-8,11H,9-10,12-13H2,1-2H3.
What are the key properties of 1,3-dihydroisoindol-2-yl-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methanone?
1,3-dihydroisoindol-2-yl-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methanone has a molecular weight of 311.39 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroisoindol-2-yl-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methanone is sourced from PubChem (CID 86786417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).