6-ethyl-6-(methylcarbamoyl)-5,7-dihydrocyclopenta[b]pyridine-3-carboxylic acid

C13H16N2O3 — CID 160735641

IUPAC6-ethyl-6-(methylcarbamoyl)-5,7-dihydrocyclopenta[b]pyridine-3-carboxylic acid
SMILESCCC1(C(=O)NC)Cc2cc(C(=O)O)cnc2C1
InChIInChI=1S/C13H16N2O3/c1-3-13(12(18)14-2)5-8-4-9(11(16)17)7-15-10(8)6-13/h4,7H,3,5-6H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyDENUULONIJLAGJ-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.02
Rot. Bonds3

About 6-ethyl-6-(methylcarbamoyl)-5,7-dihydrocyclopenta[b]pyridine-3-carboxylic acid

6-ethyl-6-(methylcarbamoyl)-5,7-dihydrocyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 160735641) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 6-ethyl-6-(methylcarbamoyl)-5,7-dihydrocyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-6-(methylcarbamoyl)-5,7-dihydrocyclopenta[b]pyridine-3-carboxylic acid
PubChem CID160735641
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name6-ethyl-6-(methylcarbamoyl)-5,7-dihydrocyclopenta[b]pyridine-3-carboxylic acid
SMILESCCC1(C(=O)NC)Cc2cc(C(=O)O)cnc2C1
InChIInChI=1S/C13H16N2O3/c1-3-13(12(18)14-2)5-8-4-9(11(16)17)7-15-10(8)6-13/h4,7H,3,5-6H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyDENUULONIJLAGJ-UHFFFAOYSA-N
XLogP1.02
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-ethyl-6-(methylcarbamoyl)-5,7-dihydrocyclopenta[b]pyridine-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

5-amino-6-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 106321433
6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride
CID 66815672
6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine-3-carboxylic acid
CID 105445983
spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-carboxylic acid
CID 152530269
5-amino-6-ethoxypyridine-3-carboxylic acid
CID 81439997
5-fluoro-6-propylpyridine-3-carboxylic acid
CID 145419429
5-amino-6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid
CID 106917773
N-(N'-ethylcarbamimidoyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide
CID 70227123
5-[[(2S)-2-aminobutanoyl]amino]pyridine-3-carboxylic acid
CID 79022911
5-amino-6-[cyclopentyl(ethyl)amino]pyridine-3-carboxylic acid
CID 81439101
4-[(5,6,7,8-tetrahydroquinolin-3-ylamino)methyl]benzoic acid
CID 122032731
6-amino-5-ethoxycarbonylpyridine-3-carboxylic acid
CID 170903103

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-6-(methylcarbamoyl)-5,7-dihydrocyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 6-ethyl-6-(methylcarbamoyl)-5,7-dihydrocyclopenta[b]pyridine-3-carboxylic acid (CID 160735641) is 6-ethyl-6-(methylcarbamoyl)-5,7-dihydrocyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-ethyl-6-(methylcarbamoyl)-5,7-dihydrocyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 6-ethyl-6-(methylcarbamoyl)-5,7-dihydrocyclopenta[b]pyridine-3-carboxylic acid is CCC1(C(=O)NC)Cc2cc(C(=O)O)cnc2C1.
What is the InChIKey of 6-ethyl-6-(methylcarbamoyl)-5,7-dihydrocyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is DENUULONIJLAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-3-13(12(18)14-2)5-8-4-9(11(16)17)7-15-10(8)6-13/h4,7H,3,5-6H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 6-ethyl-6-(methylcarbamoyl)-5,7-dihydrocyclopenta[b]pyridine-3-carboxylic acid?
6-ethyl-6-(methylcarbamoyl)-5,7-dihydrocyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6-(methylcarbamoyl)-5,7-dihydrocyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 160735641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).