13-methyl-10-oxo-N-pyridin-3-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide

C17H15N5O2 — CID 53242195

IUPAC13-methyl-10-oxo-N-pyridin-3-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
SMILESCC1CNC(=O)c2cc3ccc(C(=O)Nc4cccnc4)nc3n21
InChIInChI=1S/C17H15N5O2/c1-10-8-19-17(24)14-7-11-4-5-13(21-15(11)22(10)14)16(23)20-12-3-2-6-18-9-12/h2-7,9-10H,8H2,1H3,(H,19,24)(H,20,23)
InChIKeyXSSZBQFGRSGRTN-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.99
Rot. Bonds2

About 13-methyl-10-oxo-N-pyridin-3-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide

13-methyl-10-oxo-N-pyridin-3-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide (PubChem CID 53242195) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 13-methyl-10-oxo-N-pyridin-3-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide.

Molecular Properties

Compound Name13-methyl-10-oxo-N-pyridin-3-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
PubChem CID53242195
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name13-methyl-10-oxo-N-pyridin-3-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
SMILESCC1CNC(=O)c2cc3ccc(C(=O)Nc4cccnc4)nc3n21
InChIInChI=1S/C17H15N5O2/c1-10-8-19-17(24)14-7-11-4-5-13(21-15(11)22(10)14)16(23)20-12-3-2-6-18-9-12/h2-7,9-10H,8H2,1H3,(H,19,24)(H,20,23)
InChIKeyXSSZBQFGRSGRTN-UHFFFAOYSA-N
XLogP1.99
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 13-methyl-10-oxo-N-pyridin-3-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide?
The IUPAC name of 13-methyl-10-oxo-N-pyridin-3-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide (CID 53242195) is 13-methyl-10-oxo-N-pyridin-3-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide.
What is the SMILES notation for 13-methyl-10-oxo-N-pyridin-3-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide?
The canonical SMILES for 13-methyl-10-oxo-N-pyridin-3-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide is CC1CNC(=O)c2cc3ccc(C(=O)Nc4cccnc4)nc3n21.
What is the InChIKey of 13-methyl-10-oxo-N-pyridin-3-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide?
The InChIKey is XSSZBQFGRSGRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-10-8-19-17(24)14-7-11-4-5-13(21-15(11)22(10)14)16(23)20-12-3-2-6-18-9-12/h2-7,9-10H,8H2,1H3,(H,19,24)(H,20,23).
What are the key properties of 13-methyl-10-oxo-N-pyridin-3-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide?
13-methyl-10-oxo-N-pyridin-3-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-10-oxo-N-pyridin-3-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide is sourced from PubChem (CID 53242195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).