11-(2-methoxypyridine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

C18H19N3O3 — CID 121084411

IUPAC11-(2-methoxypyridine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
SMILESCOc1ncccc1C(=O)N1CC2CC(C1)c1cccc(=O)n1C2
InChIInChI=1S/C18H19N3O3/c1-24-17-14(4-3-7-19-17)18(23)20-9-12-8-13(11-20)15-5-2-6-16(22)21(15)10-12/h2-7,12-13H,8-11H2,1H3
InChIKeyLSRVUNLQOFRGOZ-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.51
Rot. Bonds2

About 11-(2-methoxypyridine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

11-(2-methoxypyridine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (PubChem CID 121084411) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 11-(2-methoxypyridine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.

Molecular Properties

Compound Name11-(2-methoxypyridine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
PubChem CID121084411
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name11-(2-methoxypyridine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
SMILESCOc1ncccc1C(=O)N1CC2CC(C1)c1cccc(=O)n1C2
InChIInChI=1S/C18H19N3O3/c1-24-17-14(4-3-7-19-17)18(23)20-9-12-8-13(11-20)15-5-2-6-16(22)21(15)10-12/h2-7,12-13H,8-11H2,1H3
InChIKeyLSRVUNLQOFRGOZ-UHFFFAOYSA-N
XLogP1.51
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 11-(2-methoxypyridine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The IUPAC name of 11-(2-methoxypyridine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (CID 121084411) is 11-(2-methoxypyridine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.
What is the SMILES notation for 11-(2-methoxypyridine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The canonical SMILES for 11-(2-methoxypyridine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is COc1ncccc1C(=O)N1CC2CC(C1)c1cccc(=O)n1C2.
What is the InChIKey of 11-(2-methoxypyridine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The InChIKey is LSRVUNLQOFRGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-24-17-14(4-3-7-19-17)18(23)20-9-12-8-13(11-20)15-5-2-6-16(22)21(15)10-12/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 11-(2-methoxypyridine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
11-(2-methoxypyridine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one has a molecular weight of 325.37 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-methoxypyridine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is sourced from PubChem (CID 121084411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).