N-(6-methoxy-12-oxo-9-phenyl-1,7,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13),9-tetraen-11-yl)pyridine-3-carboxamide

C23H19N5O3 — CID 11373312

IUPACN-(6-methoxy-12-oxo-9-phenyl-1,7,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13),9-tetraen-11-yl)pyridine-3-carboxamide
SMILESCOc1cc2c3c(n1)C(c1ccccc1)=NC(NC(=O)c1cccnc1)C(=O)N3CC2
InChIInChI=1S/C23H19N5O3/c1-31-17-12-15-9-11-28-20(15)19(25-17)18(14-6-3-2-4-7-14)26-21(23(28)30)27-22(29)16-8-5-10-24-13-16/h2-8,10,12-13,21H,9,11H2,1H3,(H,27,29)
InChIKeyMXUGSITVXIZQHM-UHFFFAOYSA-N
MW413.44 g/mol
LogP1.98
Rot. Bonds4

About N-(6-methoxy-12-oxo-9-phenyl-1,7,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13),9-tetraen-11-yl)pyridine-3-carboxamide

N-(6-methoxy-12-oxo-9-phenyl-1,7,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13),9-tetraen-11-yl)pyridine-3-carboxamide (PubChem CID 11373312) has the molecular formula C23H19N5O3 and a molecular weight of 413.44 g/mol. Its IUPAC name is N-(6-methoxy-12-oxo-9-phenyl-1,7,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13),9-tetraen-11-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-12-oxo-9-phenyl-1,7,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13),9-tetraen-11-yl)pyridine-3-carboxamide
PubChem CID11373312
Molecular FormulaC23H19N5O3
Molecular Weight413.44 g/mol
Exact Mass413.15
IUPAC NameN-(6-methoxy-12-oxo-9-phenyl-1,7,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13),9-tetraen-11-yl)pyridine-3-carboxamide
SMILESCOc1cc2c3c(n1)C(c1ccccc1)=NC(NC(=O)c1cccnc1)C(=O)N3CC2
InChIInChI=1S/C23H19N5O3/c1-31-17-12-15-9-11-28-20(15)19(25-17)18(14-6-3-2-4-7-14)26-21(23(28)30)27-22(29)16-8-5-10-24-13-16/h2-8,10,12-13,21H,9,11H2,1H3,(H,27,29)
InChIKeyMXUGSITVXIZQHM-UHFFFAOYSA-N
XLogP1.98
TPSA96.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(6-methoxy-12-oxo-9-phenyl-1,7,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13),9-tetraen-11-yl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-12-oxo-9-phenyl-1,7,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13),9-tetraen-11-yl)pyridine-3-carboxamide?
The IUPAC name of N-(6-methoxy-12-oxo-9-phenyl-1,7,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13),9-tetraen-11-yl)pyridine-3-carboxamide (CID 11373312) is N-(6-methoxy-12-oxo-9-phenyl-1,7,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13),9-tetraen-11-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(6-methoxy-12-oxo-9-phenyl-1,7,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13),9-tetraen-11-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(6-methoxy-12-oxo-9-phenyl-1,7,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13),9-tetraen-11-yl)pyridine-3-carboxamide is COc1cc2c3c(n1)C(c1ccccc1)=NC(NC(=O)c1cccnc1)C(=O)N3CC2.
What is the InChIKey of N-(6-methoxy-12-oxo-9-phenyl-1,7,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13),9-tetraen-11-yl)pyridine-3-carboxamide?
The InChIKey is MXUGSITVXIZQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3/c1-31-17-12-15-9-11-28-20(15)19(25-17)18(14-6-3-2-4-7-14)26-21(23(28)30)27-22(29)16-8-5-10-24-13-16/h2-8,10,12-13,21H,9,11H2,1H3,(H,27,29).
What are the key properties of N-(6-methoxy-12-oxo-9-phenyl-1,7,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13),9-tetraen-11-yl)pyridine-3-carboxamide?
N-(6-methoxy-12-oxo-9-phenyl-1,7,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13),9-tetraen-11-yl)pyridine-3-carboxamide has a molecular weight of 413.44 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-12-oxo-9-phenyl-1,7,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13),9-tetraen-11-yl)pyridine-3-carboxamide is sourced from PubChem (CID 11373312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).