6-(5,6,6a,7,8,9-hexahydro-4H-phenalene-2-carbonylamino)pyridine-3-carboxylic acid

C20H20N2O3 — CID 58420605

IUPAC6-(5,6,6a,7,8,9-hexahydro-4H-phenalene-2-carbonylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2cc3c4c(c2)CCCC4CCC3)nc1
InChIInChI=1S/C20H20N2O3/c23-19(22-17-8-7-15(11-21-17)20(24)25)16-9-13-5-1-3-12-4-2-6-14(10-16)18(12)13/h7-12H,1-6H2,(H,24,25)(H,21,22,23)
InChIKeyDFSQKSRIXKJHFP-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.79
Rot. Bonds3

About 6-(5,6,6a,7,8,9-hexahydro-4H-phenalene-2-carbonylamino)pyridine-3-carboxylic acid

6-(5,6,6a,7,8,9-hexahydro-4H-phenalene-2-carbonylamino)pyridine-3-carboxylic acid (PubChem CID 58420605) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 6-(5,6,6a,7,8,9-hexahydro-4H-phenalene-2-carbonylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(5,6,6a,7,8,9-hexahydro-4H-phenalene-2-carbonylamino)pyridine-3-carboxylic acid
PubChem CID58420605
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name6-(5,6,6a,7,8,9-hexahydro-4H-phenalene-2-carbonylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2cc3c4c(c2)CCCC4CCC3)nc1
InChIInChI=1S/C20H20N2O3/c23-19(22-17-8-7-15(11-21-17)20(24)25)16-9-13-5-1-3-12-4-2-6-14(10-16)18(12)13/h7-12H,1-6H2,(H,24,25)(H,21,22,23)
InChIKeyDFSQKSRIXKJHFP-UHFFFAOYSA-N
XLogP3.79
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(5,6,6a,7,8,9-hexahydro-4H-phenalene-2-carbonylamino)pyridine-3-carboxylic acid?
The IUPAC name of 6-(5,6,6a,7,8,9-hexahydro-4H-phenalene-2-carbonylamino)pyridine-3-carboxylic acid (CID 58420605) is 6-(5,6,6a,7,8,9-hexahydro-4H-phenalene-2-carbonylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(5,6,6a,7,8,9-hexahydro-4H-phenalene-2-carbonylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(5,6,6a,7,8,9-hexahydro-4H-phenalene-2-carbonylamino)pyridine-3-carboxylic acid is O=C(O)c1ccc(NC(=O)c2cc3c4c(c2)CCCC4CCC3)nc1.
What is the InChIKey of 6-(5,6,6a,7,8,9-hexahydro-4H-phenalene-2-carbonylamino)pyridine-3-carboxylic acid?
The InChIKey is DFSQKSRIXKJHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-19(22-17-8-7-15(11-21-17)20(24)25)16-9-13-5-1-3-12-4-2-6-14(10-16)18(12)13/h7-12H,1-6H2,(H,24,25)(H,21,22,23).
What are the key properties of 6-(5,6,6a,7,8,9-hexahydro-4H-phenalene-2-carbonylamino)pyridine-3-carboxylic acid?
6-(5,6,6a,7,8,9-hexahydro-4H-phenalene-2-carbonylamino)pyridine-3-carboxylic acid has a molecular weight of 336.39 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,6,6a,7,8,9-hexahydro-4H-phenalene-2-carbonylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 58420605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).