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-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxylic acid

C29H26N8O5 — CID 159953733

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;13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxylic acid
SMILESCC1CNC(=O)c2cc3ccc(C(=O)Nc4cccnc4)nc3n21.CC1CNC(=O)c2cc3ccc(C(=O)O)nc3n21
InChIInChI=1S/C17H15N5O2.C12H11N3O3/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;1-6-5-13-11(16)9-4-7-2-3-8(12(17)18)14-10(7)15(6)9/h2-7,9-10H,8H2,1H3,(H,19,24)(H,20,23);2-4,6H,5H2,1H3,(H,13,16)(H,17,18)
InChIKeyOCLHXQJDDSBRNE-UHFFFAOYSA-N
MW566.58 g/mol
LogP3.03
Rot. Bonds3

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-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxylic acid

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-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxylic acid (PubChem CID 159953733) has the molecular formula C29H26N8O5 and a molecular weight of 566.58 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;13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxylic acid.

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;13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxylic acid
PubChem CID159953733
Molecular FormulaC29H26N8O5
Molecular Weight566.58 g/mol
Exact Mass566.20
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;13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxylic acid
SMILESCC1CNC(=O)c2cc3ccc(C(=O)Nc4cccnc4)nc3n21.CC1CNC(=O)c2cc3ccc(C(=O)O)nc3n21
InChIInChI=1S/C17H15N5O2.C12H11N3O3/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;1-6-5-13-11(16)9-4-7-2-3-8(12(17)18)14-10(7)15(6)9/h2-7,9-10H,8H2,1H3,(H,19,24)(H,20,23);2-4,6H,5H2,1H3,(H,13,16)(H,17,18)
InChIKeyOCLHXQJDDSBRNE-UHFFFAOYSA-N
XLogP3.03
TPSA173.13 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.58
LogP ≤ 53.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 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-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxylic acid with MolForge

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Related Compounds

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4-[[5-[4-(2-Hydroxy-2-methylpropyl)-3-methylpiperazin-1-yl]-2-pyridinyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one
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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;13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxylic acid?
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;13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxylic acid (CID 159953733) 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;13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxylic acid.
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;13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxylic acid?
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;13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxylic acid is CC1CNC(=O)c2cc3ccc(C(=O)Nc4cccnc4)nc3n21.CC1CNC(=O)c2cc3ccc(C(=O)O)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;13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxylic acid?
The InChIKey is OCLHXQJDDSBRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2.C12H11N3O3/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;1-6-5-13-11(16)9-4-7-2-3-8(12(17)18)14-10(7)15(6)9/h2-7,9-10H,8H2,1H3,(H,19,24)(H,20,23);2-4,6H,5H2,1H3,(H,13,16)(H,17,18).
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-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxylic acid?
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-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxylic acid has a molecular weight of 566.58 g/mol, XLogP of 3.03, 3 rotatable bonds, 4 hydrogen bond donors, and 9 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;13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxylic acid is sourced from PubChem (CID 159953733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).