5-bromo-3-ethyl-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-8-carboxamide

C15H17BrN2O — CID 159370862

IUPAC5-bromo-3-ethyl-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-8-carboxamide
SMILESCCC1CC2=C(CN1)Cc1c(C(N)=O)ccc(Br)c12
InChIInChI=1S/C15H17BrN2O/c1-2-9-6-11-8(7-18-9)5-12-10(15(17)19)3-4-13(16)14(11)12/h3-4,9,18H,2,5-7H2,1H3,(H2,17,19)
InChIKeyRTRUAOPBTGMFRB-UHFFFAOYSA-N
MW321.22 g/mol
LogP2.63
Rot. Bonds2

About 5-bromo-3-ethyl-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-8-carboxamide

5-bromo-3-ethyl-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-8-carboxamide (PubChem CID 159370862) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 5-bromo-3-ethyl-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-8-carboxamide.

Molecular Properties

Compound Name5-bromo-3-ethyl-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-8-carboxamide
PubChem CID159370862
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name5-bromo-3-ethyl-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-8-carboxamide
SMILESCCC1CC2=C(CN1)Cc1c(C(N)=O)ccc(Br)c12
InChIInChI=1S/C15H17BrN2O/c1-2-9-6-11-8(7-18-9)5-12-10(15(17)19)3-4-13(16)14(11)12/h3-4,9,18H,2,5-7H2,1H3,(H2,17,19)
InChIKeyRTRUAOPBTGMFRB-UHFFFAOYSA-N
XLogP2.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-bromo-3-ethyl-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-8-carboxamide 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-bromo-6,7,8,9-tetrahydro-5H-fluorene-1,7-dicarboxamide
CID 149293643
1-(2-aminobutyl)-7-bromo-3H-indene-4-carboxamide;7-bromo-1-ethyl-3H-indene-4-carboxamide;5-bromo-3-ethyl-9H-indeno[2,1-c]pyridine-8-carboxamide;5-bromo-3-ethyl-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-8-carboxamide;7-bromo-3H-indene-4-carboxamide;7-bromo-1-(2-nitrobutyl)-3H-indene-4-carboxamide;tetrakis(carbon dioxide)
CID 159370857
1-(2-aminoethyl)-7-bromo-3H-indene-4-carboxamide
CID 158801497
4-bromo-7-cyano-6,7,8,9-tetrahydro-5H-fluorene-1-carboxylic acid
CID 149154027
ethyl 6-bromo-8-carbamoyl-5-fluoro-2,3,4,9-tetrahydro-1H-fluorene-2-carboxylate
CID 147445719
(1S)-1-amino-7-bromo-2,3-dihydro-1H-indene-4-carboxamide
CID 130626632
4-bromo-2-iodo-3-methylbenzamide
CID 171033351
2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]benzamide
CID 69189154
4-bromo-2-ethoxy-3-phenylbenzamide
CID 71304584
3-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
CID 130041063
(3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 131036761
4-bromo-7-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 130362598

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-ethyl-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-8-carboxamide?
The IUPAC name of 5-bromo-3-ethyl-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-8-carboxamide (CID 159370862) is 5-bromo-3-ethyl-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-8-carboxamide.
What is the SMILES notation for 5-bromo-3-ethyl-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-8-carboxamide?
The canonical SMILES for 5-bromo-3-ethyl-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-8-carboxamide is CCC1CC2=C(CN1)Cc1c(C(N)=O)ccc(Br)c12.
What is the InChIKey of 5-bromo-3-ethyl-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-8-carboxamide?
The InChIKey is RTRUAOPBTGMFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-2-9-6-11-8(7-18-9)5-12-10(15(17)19)3-4-13(16)14(11)12/h3-4,9,18H,2,5-7H2,1H3,(H2,17,19).
What are the key properties of 5-bromo-3-ethyl-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-8-carboxamide?
5-bromo-3-ethyl-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-8-carboxamide has a molecular weight of 321.22 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-ethyl-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-8-carboxamide is sourced from PubChem (CID 159370862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).