ethyl 2-amino-9-ethylpyrido[2,3-b]indole-3-carboxylate

C16H17N3O2 — CID 878737

IUPACethyl 2-amino-9-ethylpyrido[2,3-b]indole-3-carboxylate
SMILESCCOC(=O)c1cc2c3ccccc3n(CC)c2nc1N
InChIInChI=1S/C16H17N3O2/c1-3-19-13-8-6-5-7-10(13)11-9-12(16(20)21-4-2)14(17)18-15(11)19/h5-9H,3-4H2,1-2H3,(H2,17,18)
InChIKeyRUWRGCBGNNYLCB-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.97
Rot. Bonds3

About ethyl 2-amino-9-ethylpyrido[2,3-b]indole-3-carboxylate

ethyl 2-amino-9-ethylpyrido[2,3-b]indole-3-carboxylate (PubChem CID 878737) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is ethyl 2-amino-9-ethylpyrido[2,3-b]indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-9-ethylpyrido[2,3-b]indole-3-carboxylate
PubChem CID878737
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Nameethyl 2-amino-9-ethylpyrido[2,3-b]indole-3-carboxylate
SMILESCCOC(=O)c1cc2c3ccccc3n(CC)c2nc1N
InChIInChI=1S/C16H17N3O2/c1-3-19-13-8-6-5-7-10(13)11-9-12(16(20)21-4-2)14(17)18-15(11)19/h5-9H,3-4H2,1-2H3,(H2,17,18)
InChIKeyRUWRGCBGNNYLCB-UHFFFAOYSA-N
XLogP2.97
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-amino-9-ethylpyrido[2,3-b]indole-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 2-amino-9-ethylpyrido[2,3-b]indole-3-carboxylate?
The IUPAC name of ethyl 2-amino-9-ethylpyrido[2,3-b]indole-3-carboxylate (CID 878737) is ethyl 2-amino-9-ethylpyrido[2,3-b]indole-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-9-ethylpyrido[2,3-b]indole-3-carboxylate?
The canonical SMILES for ethyl 2-amino-9-ethylpyrido[2,3-b]indole-3-carboxylate is CCOC(=O)c1cc2c3ccccc3n(CC)c2nc1N.
What is the InChIKey of ethyl 2-amino-9-ethylpyrido[2,3-b]indole-3-carboxylate?
The InChIKey is RUWRGCBGNNYLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-3-19-13-8-6-5-7-10(13)11-9-12(16(20)21-4-2)14(17)18-15(11)19/h5-9H,3-4H2,1-2H3,(H2,17,18).
What are the key properties of ethyl 2-amino-9-ethylpyrido[2,3-b]indole-3-carboxylate?
ethyl 2-amino-9-ethylpyrido[2,3-b]indole-3-carboxylate has a molecular weight of 283.33 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-9-ethylpyrido[2,3-b]indole-3-carboxylate is sourced from PubChem (CID 878737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).