4-amino-2-ethyl-9-methylpyrido[2,3-b]indole-3-carboxylic acid

C15H15N3O2 — CID 23035456

IUPAC4-amino-2-ethyl-9-methylpyrido[2,3-b]indole-3-carboxylic acid
SMILESCCc1nc2c(c(N)c1C(=O)O)c1ccccc1n2C
InChIInChI=1S/C15H15N3O2/c1-3-9-12(15(19)20)13(16)11-8-6-4-5-7-10(8)18(2)14(11)17-9/h4-7H,3H2,1-2H3,(H2,16,17)(H,19,20)
InChIKeyJDEVLALTXZDSPB-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.57
Rot. Bonds2

About 4-amino-2-ethyl-9-methylpyrido[2,3-b]indole-3-carboxylic acid

4-amino-2-ethyl-9-methylpyrido[2,3-b]indole-3-carboxylic acid (PubChem CID 23035456) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-amino-2-ethyl-9-methylpyrido[2,3-b]indole-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-ethyl-9-methylpyrido[2,3-b]indole-3-carboxylic acid
PubChem CID23035456
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name4-amino-2-ethyl-9-methylpyrido[2,3-b]indole-3-carboxylic acid
SMILESCCc1nc2c(c(N)c1C(=O)O)c1ccccc1n2C
InChIInChI=1S/C15H15N3O2/c1-3-9-12(15(19)20)13(16)11-8-6-4-5-7-10(8)18(2)14(11)17-9/h4-7H,3H2,1-2H3,(H2,16,17)(H,19,20)
InChIKeyJDEVLALTXZDSPB-UHFFFAOYSA-N
XLogP2.57
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-2-ethyl-9-methylpyrido[2,3-b]indole-3-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

Related Compounds

4-amino-2,9-dimethylpyrido[2,3-b]indole-3-carboxylic acid
CID 15154321
10,14-dimethyl-2-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 12780582
4-amino-2,6-diethyl-5-methylpyridine-3-carboxylic acid
CID 68536975
1-(4,9-dimethylpyrido[2,3-b]indol-2-yl)-2-phenylethanone
CID 135060121
2-bromo-1-methylindole-3-carboxylic acid
CID 10800903
2-butyl-1-methylindole-3-carboxylic acid
CID 18505279
1-methyl-2-phenylindole-3-carboxylic acid
CID 8899719
5,7-dimethylindolo[2,3-b]carbazole-6-carboxylic acid
CID 22025405
2-amino-N-(6,11-dimethylindolo[2,3-b]quinolin-2-yl)acetamide
CID 25147213
2-ethyl-10-methyl-3-(2-phenylethyl)pyrimido[4,5-b]quinoline-4,5-dione
CID 7677353
3-benzyl-2-ethyl-10-methylpyrimido[4,5-b]quinoline-4,5-dione
CID 7660271
4-amino-2-(2-ethylphenyl)quinoline-3-carboxylic acid
CID 69016708

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-ethyl-9-methylpyrido[2,3-b]indole-3-carboxylic acid?
The IUPAC name of 4-amino-2-ethyl-9-methylpyrido[2,3-b]indole-3-carboxylic acid (CID 23035456) is 4-amino-2-ethyl-9-methylpyrido[2,3-b]indole-3-carboxylic acid.
What is the SMILES notation for 4-amino-2-ethyl-9-methylpyrido[2,3-b]indole-3-carboxylic acid?
The canonical SMILES for 4-amino-2-ethyl-9-methylpyrido[2,3-b]indole-3-carboxylic acid is CCc1nc2c(c(N)c1C(=O)O)c1ccccc1n2C.
What is the InChIKey of 4-amino-2-ethyl-9-methylpyrido[2,3-b]indole-3-carboxylic acid?
The InChIKey is JDEVLALTXZDSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-3-9-12(15(19)20)13(16)11-8-6-4-5-7-10(8)18(2)14(11)17-9/h4-7H,3H2,1-2H3,(H2,16,17)(H,19,20).
What are the key properties of 4-amino-2-ethyl-9-methylpyrido[2,3-b]indole-3-carboxylic acid?
4-amino-2-ethyl-9-methylpyrido[2,3-b]indole-3-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-ethyl-9-methylpyrido[2,3-b]indole-3-carboxylic acid is sourced from PubChem (CID 23035456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).