N-(10-oxo-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)pyridine-4-carboxamide

C13H8N8O2 — CID 66505691

IUPACN-(10-oxo-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)pyridine-4-carboxamide
SMILESO=C(Nn1ccc2c(nnc3ncnn32)c1=O)c1ccncc1
InChIInChI=1S/C13H8N8O2/c22-11(8-1-4-14-5-2-8)19-20-6-3-9-10(12(20)23)17-18-13-15-7-16-21(9)13/h1-7H,(H,19,22)
InChIKeyQSLHPXLBPUVECN-UHFFFAOYSA-N
MW308.26 g/mol
LogP-0.39
Rot. Bonds2

About N-(10-oxo-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)pyridine-4-carboxamide

N-(10-oxo-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)pyridine-4-carboxamide (PubChem CID 66505691) has the molecular formula C13H8N8O2 and a molecular weight of 308.26 g/mol. Its IUPAC name is N-(10-oxo-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(10-oxo-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)pyridine-4-carboxamide
PubChem CID66505691
Molecular FormulaC13H8N8O2
Molecular Weight308.26 g/mol
Exact Mass308.08
IUPAC NameN-(10-oxo-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)pyridine-4-carboxamide
SMILESO=C(Nn1ccc2c(nnc3ncnn32)c1=O)c1ccncc1
InChIInChI=1S/C13H8N8O2/c22-11(8-1-4-14-5-2-8)19-20-6-3-9-10(12(20)23)17-18-13-15-7-16-21(9)13/h1-7H,(H,19,22)
InChIKeyQSLHPXLBPUVECN-UHFFFAOYSA-N
XLogP-0.39
TPSA119.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(10-oxo-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)pyridine-4-carboxamide with MolForge

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Related Compounds

N-(4-ethyl-10-oxo-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)benzamide
CID 66505604
N-(10-oxo-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 66502131
11-(4-oxo-1H-pyridin-3-yl)-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66505742
11-(3-methoxyphenyl)-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 56737861
N-(4-methyl-10-oxo-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 66501631
N-pyrrolo[2,3-c]pyridin-1-ylpyrimidine-5-carboxamide
CID 91264583
N-[10-oxo-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl]pyridine-3-carboxamide
CID 16653997
N-(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)pyridine-4-carboxamide
CID 10149193
CID 69045386
CID 69045386
N-[5-(4-chlorophenyl)-4-ethyl-10-oxo-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 66507105
N-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)pyridine-4-carboxamide
CID 661349
2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 149253961

Frequently Asked Questions

What is the IUPAC name of N-(10-oxo-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)pyridine-4-carboxamide?
The IUPAC name of N-(10-oxo-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)pyridine-4-carboxamide (CID 66505691) is N-(10-oxo-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(10-oxo-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(10-oxo-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)pyridine-4-carboxamide is O=C(Nn1ccc2c(nnc3ncnn32)c1=O)c1ccncc1.
What is the InChIKey of N-(10-oxo-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)pyridine-4-carboxamide?
The InChIKey is QSLHPXLBPUVECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N8O2/c22-11(8-1-4-14-5-2-8)19-20-6-3-9-10(12(20)23)17-18-13-15-7-16-21(9)13/h1-7H,(H,19,22).
What are the key properties of N-(10-oxo-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)pyridine-4-carboxamide?
N-(10-oxo-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)pyridine-4-carboxamide has a molecular weight of 308.26 g/mol, XLogP of -0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10-oxo-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)pyridine-4-carboxamide is sourced from PubChem (CID 66505691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).