ethyl 6-[3-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]azetidin-1-yl]pyridine-3-carboxylate

C23H26N4O4 — CID 166209950

IUPACethyl 6-[3-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]azetidin-1-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CC(NC(=O)c3cn(CCOC)c4ccccc34)C2)nc1
InChIInChI=1S/C23H26N4O4/c1-3-31-23(29)16-8-9-21(24-12-16)27-13-17(14-27)25-22(28)19-15-26(10-11-30-2)20-7-5-4-6-18(19)20/h4-9,12,15,17H,3,10-11,13-14H2,1-2H3,(H,25,28)
InChIKeyNXBKKWBWPWICBN-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.48
Rot. Bonds8

About ethyl 6-[3-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]azetidin-1-yl]pyridine-3-carboxylate

ethyl 6-[3-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]azetidin-1-yl]pyridine-3-carboxylate (PubChem CID 166209950) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is ethyl 6-[3-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]azetidin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[3-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]azetidin-1-yl]pyridine-3-carboxylate
PubChem CID166209950
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Nameethyl 6-[3-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]azetidin-1-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CC(NC(=O)c3cn(CCOC)c4ccccc34)C2)nc1
InChIInChI=1S/C23H26N4O4/c1-3-31-23(29)16-8-9-21(24-12-16)27-13-17(14-27)25-22(28)19-15-26(10-11-30-2)20-7-5-4-6-18(19)20/h4-9,12,15,17H,3,10-11,13-14H2,1-2H3,(H,25,28)
InChIKeyNXBKKWBWPWICBN-UHFFFAOYSA-N
XLogP2.48
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 6-[3-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]azetidin-1-yl]pyridine-3-carboxylate 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 ethyl 6-[3-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]azetidin-1-yl]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[3-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]azetidin-1-yl]pyridine-3-carboxylate (CID 166209950) is ethyl 6-[3-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]azetidin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[3-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]azetidin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[3-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]azetidin-1-yl]pyridine-3-carboxylate is CCOC(=O)c1ccc(N2CC(NC(=O)c3cn(CCOC)c4ccccc34)C2)nc1.
What is the InChIKey of ethyl 6-[3-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]azetidin-1-yl]pyridine-3-carboxylate?
The InChIKey is NXBKKWBWPWICBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-3-31-23(29)16-8-9-21(24-12-16)27-13-17(14-27)25-22(28)19-15-26(10-11-30-2)20-7-5-4-6-18(19)20/h4-9,12,15,17H,3,10-11,13-14H2,1-2H3,(H,25,28).
What are the key properties of ethyl 6-[3-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]azetidin-1-yl]pyridine-3-carboxylate?
ethyl 6-[3-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]azetidin-1-yl]pyridine-3-carboxylate has a molecular weight of 422.49 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[3-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]azetidin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 166209950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).