7-[[2-[2-(dimethylamino)ethylcarbamoyl]-4-pyridinyl]oxy]-1-methylindole-2-carboxylic acid

C20H22N4O4 — CID 69318498

IUPAC7-[[2-[2-(dimethylamino)ethylcarbamoyl]-4-pyridinyl]oxy]-1-methylindole-2-carboxylic acid
SMILESCN(C)CCNC(=O)c1cc(Oc2cccc3cc(C(=O)O)n(C)c23)ccn1
InChIInChI=1S/C20H22N4O4/c1-23(2)10-9-22-19(25)15-12-14(7-8-21-15)28-17-6-4-5-13-11-16(20(26)27)24(3)18(13)17/h4-8,11-12H,9-10H2,1-3H3,(H,22,25)(H,26,27)
InChIKeyGDIAUHXJKMBCMS-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.36
Rot. Bonds7

About 7-[[2-[2-(dimethylamino)ethylcarbamoyl]-4-pyridinyl]oxy]-1-methylindole-2-carboxylic acid

7-[[2-[2-(dimethylamino)ethylcarbamoyl]-4-pyridinyl]oxy]-1-methylindole-2-carboxylic acid (PubChem CID 69318498) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 7-[[2-[2-(dimethylamino)ethylcarbamoyl]-4-pyridinyl]oxy]-1-methylindole-2-carboxylic acid.

Molecular Properties

Compound Name7-[[2-[2-(dimethylamino)ethylcarbamoyl]-4-pyridinyl]oxy]-1-methylindole-2-carboxylic acid
PubChem CID69318498
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name7-[[2-[2-(dimethylamino)ethylcarbamoyl]-4-pyridinyl]oxy]-1-methylindole-2-carboxylic acid
SMILESCN(C)CCNC(=O)c1cc(Oc2cccc3cc(C(=O)O)n(C)c23)ccn1
InChIInChI=1S/C20H22N4O4/c1-23(2)10-9-22-19(25)15-12-14(7-8-21-15)28-17-6-4-5-13-11-16(20(26)27)24(3)18(13)17/h4-8,11-12H,9-10H2,1-3H3,(H,22,25)(H,26,27)
InChIKeyGDIAUHXJKMBCMS-UHFFFAOYSA-N
XLogP2.36
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[[2-[2-(dimethylamino)ethylcarbamoyl]-4-pyridinyl]oxy]-1-methylindole-2-carboxylic acid 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 7-[[2-[2-(dimethylamino)ethylcarbamoyl]-4-pyridinyl]oxy]-1-methylindole-2-carboxylic acid?
The IUPAC name of 7-[[2-[2-(dimethylamino)ethylcarbamoyl]-4-pyridinyl]oxy]-1-methylindole-2-carboxylic acid (CID 69318498) is 7-[[2-[2-(dimethylamino)ethylcarbamoyl]-4-pyridinyl]oxy]-1-methylindole-2-carboxylic acid.
What is the SMILES notation for 7-[[2-[2-(dimethylamino)ethylcarbamoyl]-4-pyridinyl]oxy]-1-methylindole-2-carboxylic acid?
The canonical SMILES for 7-[[2-[2-(dimethylamino)ethylcarbamoyl]-4-pyridinyl]oxy]-1-methylindole-2-carboxylic acid is CN(C)CCNC(=O)c1cc(Oc2cccc3cc(C(=O)O)n(C)c23)ccn1.
What is the InChIKey of 7-[[2-[2-(dimethylamino)ethylcarbamoyl]-4-pyridinyl]oxy]-1-methylindole-2-carboxylic acid?
The InChIKey is GDIAUHXJKMBCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-23(2)10-9-22-19(25)15-12-14(7-8-21-15)28-17-6-4-5-13-11-16(20(26)27)24(3)18(13)17/h4-8,11-12H,9-10H2,1-3H3,(H,22,25)(H,26,27).
What are the key properties of 7-[[2-[2-(dimethylamino)ethylcarbamoyl]-4-pyridinyl]oxy]-1-methylindole-2-carboxylic acid?
7-[[2-[2-(dimethylamino)ethylcarbamoyl]-4-pyridinyl]oxy]-1-methylindole-2-carboxylic acid has a molecular weight of 382.42 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-[2-(dimethylamino)ethylcarbamoyl]-4-pyridinyl]oxy]-1-methylindole-2-carboxylic acid is sourced from PubChem (CID 69318498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).