11-methoxy-9-oxo-N-pyridin-4-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide

C18H15N3O3 — CID 138517678

IUPAC11-methoxy-9-oxo-N-pyridin-4-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide
SMILESCOc1c(C(=O)Nc2ccncc2)c(=O)c2cccc3c2n1CC3
InChIInChI=1S/C18H15N3O3/c1-24-18-14(17(23)20-12-5-8-19-9-6-12)16(22)13-4-2-3-11-7-10-21(18)15(11)13/h2-6,8-9H,7,10H2,1H3,(H,19,20,23)
InChIKeyMPCSILVEMDUOPS-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.21
Rot. Bonds3

About 11-methoxy-9-oxo-N-pyridin-4-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide

11-methoxy-9-oxo-N-pyridin-4-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide (PubChem CID 138517678) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 11-methoxy-9-oxo-N-pyridin-4-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide.

Molecular Properties

Compound Name11-methoxy-9-oxo-N-pyridin-4-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide
PubChem CID138517678
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name11-methoxy-9-oxo-N-pyridin-4-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide
SMILESCOc1c(C(=O)Nc2ccncc2)c(=O)c2cccc3c2n1CC3
InChIInChI=1S/C18H15N3O3/c1-24-18-14(17(23)20-12-5-8-19-9-6-12)16(22)13-4-2-3-11-7-10-21(18)15(11)13/h2-6,8-9H,7,10H2,1H3,(H,19,20,23)
InChIKeyMPCSILVEMDUOPS-UHFFFAOYSA-N
XLogP2.21
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 11-methoxy-9-oxo-N-pyridin-4-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide?
The IUPAC name of 11-methoxy-9-oxo-N-pyridin-4-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide (CID 138517678) is 11-methoxy-9-oxo-N-pyridin-4-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide.
What is the SMILES notation for 11-methoxy-9-oxo-N-pyridin-4-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide?
The canonical SMILES for 11-methoxy-9-oxo-N-pyridin-4-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide is COc1c(C(=O)Nc2ccncc2)c(=O)c2cccc3c2n1CC3.
What is the InChIKey of 11-methoxy-9-oxo-N-pyridin-4-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide?
The InChIKey is MPCSILVEMDUOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-24-18-14(17(23)20-12-5-8-19-9-6-12)16(22)13-4-2-3-11-7-10-21(18)15(11)13/h2-6,8-9H,7,10H2,1H3,(H,19,20,23).
What are the key properties of 11-methoxy-9-oxo-N-pyridin-4-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide?
11-methoxy-9-oxo-N-pyridin-4-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methoxy-9-oxo-N-pyridin-4-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide is sourced from PubChem (CID 138517678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).