6-(tricyclo[8.4.1.05,15]pentadeca-1,3,5(15)-triene-3-carbonylamino)pyridine-3-carboxylic acid

C22H24N2O3 — CID 25189752

IUPAC6-(tricyclo[8.4.1.05,15]pentadeca-1,3,5(15)-triene-3-carbonylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2cc3c4c(c2)CCCCC4CCCC3)nc1
InChIInChI=1S/C22H24N2O3/c25-21(24-19-10-9-17(13-23-19)22(26)27)18-11-15-7-3-1-5-14-6-2-4-8-16(12-18)20(14)15/h9-14H,1-8H2,(H,26,27)(H,23,24,25)
InChIKeyJVETWSVVLDTOQC-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.57
Rot. Bonds3

About 6-(tricyclo[8.4.1.05,15]pentadeca-1,3,5(15)-triene-3-carbonylamino)pyridine-3-carboxylic acid

6-(tricyclo[8.4.1.05,15]pentadeca-1,3,5(15)-triene-3-carbonylamino)pyridine-3-carboxylic acid (PubChem CID 25189752) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-(tricyclo[8.4.1.05,15]pentadeca-1,3,5(15)-triene-3-carbonylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(tricyclo[8.4.1.05,15]pentadeca-1,3,5(15)-triene-3-carbonylamino)pyridine-3-carboxylic acid
PubChem CID25189752
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name6-(tricyclo[8.4.1.05,15]pentadeca-1,3,5(15)-triene-3-carbonylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2cc3c4c(c2)CCCCC4CCCC3)nc1
InChIInChI=1S/C22H24N2O3/c25-21(24-19-10-9-17(13-23-19)22(26)27)18-11-15-7-3-1-5-14-6-2-4-8-16(12-18)20(14)15/h9-14H,1-8H2,(H,26,27)(H,23,24,25)
InChIKeyJVETWSVVLDTOQC-UHFFFAOYSA-N
XLogP4.57
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(tricyclo[8.4.1.05,15]pentadeca-1,3,5(15)-triene-3-carbonylamino)pyridine-3-carboxylic acid?
The IUPAC name of 6-(tricyclo[8.4.1.05,15]pentadeca-1,3,5(15)-triene-3-carbonylamino)pyridine-3-carboxylic acid (CID 25189752) is 6-(tricyclo[8.4.1.05,15]pentadeca-1,3,5(15)-triene-3-carbonylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(tricyclo[8.4.1.05,15]pentadeca-1,3,5(15)-triene-3-carbonylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(tricyclo[8.4.1.05,15]pentadeca-1,3,5(15)-triene-3-carbonylamino)pyridine-3-carboxylic acid is O=C(O)c1ccc(NC(=O)c2cc3c4c(c2)CCCCC4CCCC3)nc1.
What is the InChIKey of 6-(tricyclo[8.4.1.05,15]pentadeca-1,3,5(15)-triene-3-carbonylamino)pyridine-3-carboxylic acid?
The InChIKey is JVETWSVVLDTOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c25-21(24-19-10-9-17(13-23-19)22(26)27)18-11-15-7-3-1-5-14-6-2-4-8-16(12-18)20(14)15/h9-14H,1-8H2,(H,26,27)(H,23,24,25).
What are the key properties of 6-(tricyclo[8.4.1.05,15]pentadeca-1,3,5(15)-triene-3-carbonylamino)pyridine-3-carboxylic acid?
6-(tricyclo[8.4.1.05,15]pentadeca-1,3,5(15)-triene-3-carbonylamino)pyridine-3-carboxylic acid has a molecular weight of 364.45 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tricyclo[8.4.1.05,15]pentadeca-1,3,5(15)-triene-3-carbonylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 25189752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).