N-(2-methyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)pyridine-4-carboxamide

C16H15N3O3 — CID 2971823

IUPACN-(2-methyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)pyridine-4-carboxamide
SMILESCC12C(=O)N(NC(=O)c3ccncc3)C(=O)C1C1C=CC2C1
InChIInChI=1S/C16H15N3O3/c1-16-11-3-2-10(8-11)12(16)14(21)19(15(16)22)18-13(20)9-4-6-17-7-5-9/h2-7,10-12H,8H2,1H3,(H,18,20)
InChIKeyYXVQIKWDKKZBPR-UHFFFAOYSA-N
MW297.31 g/mol
LogP0.92
Rot. Bonds2

About N-(2-methyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)pyridine-4-carboxamide

N-(2-methyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)pyridine-4-carboxamide (PubChem CID 2971823) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-(2-methyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)pyridine-4-carboxamide
PubChem CID2971823
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-(2-methyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)pyridine-4-carboxamide
SMILESCC12C(=O)N(NC(=O)c3ccncc3)C(=O)C1C1C=CC2C1
InChIInChI=1S/C16H15N3O3/c1-16-11-3-2-10(8-11)12(16)14(21)19(15(16)22)18-13(20)9-4-6-17-7-5-9/h2-7,10-12H,8H2,1H3,(H,18,20)
InChIKeyYXVQIKWDKKZBPR-UHFFFAOYSA-N
XLogP0.92
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)pyridine-4-carboxamide?
The IUPAC name of N-(2-methyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)pyridine-4-carboxamide (CID 2971823) is N-(2-methyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-methyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-methyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)pyridine-4-carboxamide is CC12C(=O)N(NC(=O)c3ccncc3)C(=O)C1C1C=CC2C1.
What is the InChIKey of N-(2-methyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)pyridine-4-carboxamide?
The InChIKey is YXVQIKWDKKZBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-16-11-3-2-10(8-11)12(16)14(21)19(15(16)22)18-13(20)9-4-6-17-7-5-9/h2-7,10-12H,8H2,1H3,(H,18,20).
What are the key properties of N-(2-methyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)pyridine-4-carboxamide?
N-(2-methyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)pyridine-4-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 2971823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).