2-(N,2-dimethylanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

C17H18N2O2 — CID 62701508

IUPAC2-(N,2-dimethylanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCc1ccccc1N(C)c1nc2c(cc1C(=O)O)CCC2
InChIInChI=1S/C17H18N2O2/c1-11-6-3-4-9-15(11)19(2)16-13(17(20)21)10-12-7-5-8-14(12)18-16/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,20,21)
InChIKeyBLICGRKAHLVBAN-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.34
Rot. Bonds3

About 2-(N,2-dimethylanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

2-(N,2-dimethylanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 62701508) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-(N,2-dimethylanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(N,2-dimethylanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
PubChem CID62701508
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-(N,2-dimethylanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCc1ccccc1N(C)c1nc2c(cc1C(=O)O)CCC2
InChIInChI=1S/C17H18N2O2/c1-11-6-3-4-9-15(11)19(2)16-13(17(20)21)10-12-7-5-8-14(12)18-16/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,20,21)
InChIKeyBLICGRKAHLVBAN-UHFFFAOYSA-N
XLogP3.34
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(N,2-dimethylanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 2-(N,2-dimethylanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (CID 62701508) is 2-(N,2-dimethylanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(N,2-dimethylanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(N,2-dimethylanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is Cc1ccccc1N(C)c1nc2c(cc1C(=O)O)CCC2.
What is the InChIKey of 2-(N,2-dimethylanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is BLICGRKAHLVBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-11-6-3-4-9-15(11)19(2)16-13(17(20)21)10-12-7-5-8-14(12)18-16/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,20,21).
What are the key properties of 2-(N,2-dimethylanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
2-(N,2-dimethylanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N,2-dimethylanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 62701508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).