5-[[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]amino]-5-oxopentanoic acid

C20H22N2O4 — CID 2814842

IUPAC5-[[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]amino]-5-oxopentanoic acid
SMILESCc1ccc(Oc2ncccc2NC(=O)CCCC(=O)O)c2c1CCC2
InChIInChI=1S/C20H22N2O4/c1-13-10-11-17(15-6-2-5-14(13)15)26-20-16(7-4-12-21-20)22-18(23)8-3-9-19(24)25/h4,7,10-12H,2-3,5-6,8-9H2,1H3,(H,22,23)(H,24,25)
InChIKeyAIBHAPAFWTXDCG-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.86
Rot. Bonds7

About 5-[[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]amino]-5-oxopentanoic acid

5-[[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]amino]-5-oxopentanoic acid (PubChem CID 2814842) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-[[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]amino]-5-oxopentanoic acid
PubChem CID2814842
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name5-[[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]amino]-5-oxopentanoic acid
SMILESCc1ccc(Oc2ncccc2NC(=O)CCCC(=O)O)c2c1CCC2
InChIInChI=1S/C20H22N2O4/c1-13-10-11-17(15-6-2-5-14(13)15)26-20-16(7-4-12-21-20)22-18(23)8-3-9-19(24)25/h4,7,10-12H,2-3,5-6,8-9H2,1H3,(H,22,23)(H,24,25)
InChIKeyAIBHAPAFWTXDCG-UHFFFAOYSA-N
XLogP3.86
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]amino]-5-oxopentanoic 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 5-[[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]amino]-5-oxopentanoic acid (CID 2814842) is 5-[[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]amino]-5-oxopentanoic acid is Cc1ccc(Oc2ncccc2NC(=O)CCCC(=O)O)c2c1CCC2.
What is the InChIKey of 5-[[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]amino]-5-oxopentanoic acid?
The InChIKey is AIBHAPAFWTXDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-13-10-11-17(15-6-2-5-14(13)15)26-20-16(7-4-12-21-20)22-18(23)8-3-9-19(24)25/h4,7,10-12H,2-3,5-6,8-9H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 5-[[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]amino]-5-oxopentanoic acid?
5-[[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]amino]-5-oxopentanoic acid has a molecular weight of 354.41 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 2814842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).