3-methyl-6-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-5,7-dihydrocyclopenta[c]pyridine-6-carboxylic acid

C21H22N2O3 — CID 59314201

IUPAC3-methyl-6-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-5,7-dihydrocyclopenta[c]pyridine-6-carboxylic acid
SMILESCc1cc2c(cn1)CC(NC(=O)c1cccc3c1CCCC3)(C(=O)O)C2
InChIInChI=1S/C21H22N2O3/c1-13-9-15-10-21(20(25)26,11-16(15)12-22-13)23-19(24)18-8-4-6-14-5-2-3-7-17(14)18/h4,6,8-9,12H,2-3,5,7,10-11H2,1H3,(H,23,24)(H,25,26)
InChIKeyPWKXEQRZTNODQH-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.62
Rot. Bonds3

About 3-methyl-6-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-5,7-dihydrocyclopenta[c]pyridine-6-carboxylic acid

3-methyl-6-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-5,7-dihydrocyclopenta[c]pyridine-6-carboxylic acid (PubChem CID 59314201) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-methyl-6-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-5,7-dihydrocyclopenta[c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-methyl-6-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-5,7-dihydrocyclopenta[c]pyridine-6-carboxylic acid
PubChem CID59314201
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name3-methyl-6-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-5,7-dihydrocyclopenta[c]pyridine-6-carboxylic acid
SMILESCc1cc2c(cn1)CC(NC(=O)c1cccc3c1CCCC3)(C(=O)O)C2
InChIInChI=1S/C21H22N2O3/c1-13-9-15-10-21(20(25)26,11-16(15)12-22-13)23-19(24)18-8-4-6-14-5-2-3-7-17(14)18/h4,6,8-9,12H,2-3,5,7,10-11H2,1H3,(H,23,24)(H,25,26)
InChIKeyPWKXEQRZTNODQH-UHFFFAOYSA-N
XLogP2.62
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-5,7-dihydrocyclopenta[c]pyridine-6-carboxylic acid?
The IUPAC name of 3-methyl-6-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-5,7-dihydrocyclopenta[c]pyridine-6-carboxylic acid (CID 59314201) is 3-methyl-6-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-5,7-dihydrocyclopenta[c]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-methyl-6-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-5,7-dihydrocyclopenta[c]pyridine-6-carboxylic acid?
The canonical SMILES for 3-methyl-6-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-5,7-dihydrocyclopenta[c]pyridine-6-carboxylic acid is Cc1cc2c(cn1)CC(NC(=O)c1cccc3c1CCCC3)(C(=O)O)C2.
What is the InChIKey of 3-methyl-6-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-5,7-dihydrocyclopenta[c]pyridine-6-carboxylic acid?
The InChIKey is PWKXEQRZTNODQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-13-9-15-10-21(20(25)26,11-16(15)12-22-13)23-19(24)18-8-4-6-14-5-2-3-7-17(14)18/h4,6,8-9,12H,2-3,5,7,10-11H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 3-methyl-6-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-5,7-dihydrocyclopenta[c]pyridine-6-carboxylic acid?
3-methyl-6-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-5,7-dihydrocyclopenta[c]pyridine-6-carboxylic acid has a molecular weight of 350.42 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-5,7-dihydrocyclopenta[c]pyridine-6-carboxylic acid is sourced from PubChem (CID 59314201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).