5-amino-3-[4-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-1H-pyridin-2-one

C17H20N4O2 — CID 90004788

IUPAC5-amino-3-[4-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-1H-pyridin-2-one
SMILESCN(C)CCOc1cccc2[nH]c(-c3cc(N)c[nH]c3=O)cc12
InChIInChI=1S/C17H20N4O2/c1-21(2)6-7-23-16-5-3-4-14-12(16)9-15(20-14)13-8-11(18)10-19-17(13)22/h3-5,8-10,20H,6-7,18H2,1-2H3,(H,19,22)
InChIKeyZAZVQYIQSZRBNW-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.05
Rot. Bonds5

About 5-amino-3-[4-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-1H-pyridin-2-one

5-amino-3-[4-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-1H-pyridin-2-one (PubChem CID 90004788) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 5-amino-3-[4-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-amino-3-[4-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-1H-pyridin-2-one
PubChem CID90004788
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name5-amino-3-[4-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-1H-pyridin-2-one
SMILESCN(C)CCOc1cccc2[nH]c(-c3cc(N)c[nH]c3=O)cc12
InChIInChI=1S/C17H20N4O2/c1-21(2)6-7-23-16-5-3-4-14-12(16)9-15(20-14)13-8-11(18)10-19-17(13)22/h3-5,8-10,20H,6-7,18H2,1-2H3,(H,19,22)
InChIKeyZAZVQYIQSZRBNW-UHFFFAOYSA-N
XLogP2.05
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-amino-3-[4-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[4-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-1H-pyridin-2-one?
The IUPAC name of 5-amino-3-[4-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-1H-pyridin-2-one (CID 90004788) is 5-amino-3-[4-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-amino-3-[4-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-amino-3-[4-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-1H-pyridin-2-one is CN(C)CCOc1cccc2[nH]c(-c3cc(N)c[nH]c3=O)cc12.
What is the InChIKey of 5-amino-3-[4-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-1H-pyridin-2-one?
The InChIKey is ZAZVQYIQSZRBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-21(2)6-7-23-16-5-3-4-14-12(16)9-15(20-14)13-8-11(18)10-19-17(13)22/h3-5,8-10,20H,6-7,18H2,1-2H3,(H,19,22).
What are the key properties of 5-amino-3-[4-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-1H-pyridin-2-one?
5-amino-3-[4-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-1H-pyridin-2-one has a molecular weight of 312.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[4-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 90004788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).