N-(3-oxo-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-7-yl)acetamide

C16H12N6O2 — CID 42626158

IUPACN-(3-oxo-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-7-yl)acetamide
SMILESCC(=O)Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12
InChIInChI=1S/C16H12N6O2/c1-10(23)18-14-15-20-22(11-6-3-2-4-7-11)16(24)21(15)12-8-5-9-17-13(12)19-14/h2-9H,1H3,(H,17,18,19,23)
InChIKeyGIJZFJXINUOMDZ-UHFFFAOYSA-N
MW320.31 g/mol
LogP1.39
Rot. Bonds2

About N-(3-oxo-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-7-yl)acetamide

N-(3-oxo-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-7-yl)acetamide (PubChem CID 42626158) has the molecular formula C16H12N6O2 and a molecular weight of 320.31 g/mol. Its IUPAC name is N-(3-oxo-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-7-yl)acetamide.

Molecular Properties

Compound NameN-(3-oxo-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-7-yl)acetamide
PubChem CID42626158
Molecular FormulaC16H12N6O2
Molecular Weight320.31 g/mol
Exact Mass320.10
IUPAC NameN-(3-oxo-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-7-yl)acetamide
SMILESCC(=O)Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12
InChIInChI=1S/C16H12N6O2/c1-10(23)18-14-15-20-22(11-6-3-2-4-7-11)16(24)21(15)12-8-5-9-17-13(12)19-14/h2-9H,1H3,(H,17,18,19,23)
InChIKeyGIJZFJXINUOMDZ-UHFFFAOYSA-N
XLogP1.39
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3-oxo-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-7-yl)acetamide with MolForge

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Related Compounds

N-(2,4-Difluorophenyl)-4-(2-pyridinyl)-1-piperazineacetamide
CID 3547487
4-Methyl-2-[4-(4-pyridin-2-yl-piperazin-1-yl)-butyl]-2H-[1,2,4]triazine-3,5-dione
CID 89638711
N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 4595252
N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4780744
3H,4H-pyrido(2,3-b)pyrazin-3-one
CID 20360823
7-(Cyclohexylamino)-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one
CID 42626002
7-(Cyclopentylamino)-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one
CID 42626003
N-{4-[(5-nitropyridin-2-yl)amino]phenyl}acetamide
CID 3146300
N-[4-(diethylamino)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 5056435
DMT1 blocker 1
CID 25098135
n-[4-(5-Amino-1-pyridin-2-yl-1h-[1,2,4]triazol-3-ylamino)-phenyl]-acetamide
CID 56593834
N-(3,4-difluorophenyl)-2-[4-(pyridin-2-yl)piperazin-1-yl]acetamide
CID 727072

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-7-yl)acetamide?
The IUPAC name of N-(3-oxo-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-7-yl)acetamide (CID 42626158) is N-(3-oxo-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-7-yl)acetamide.
What is the SMILES notation for N-(3-oxo-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-7-yl)acetamide?
The canonical SMILES for N-(3-oxo-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-7-yl)acetamide is CC(=O)Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12.
What is the InChIKey of N-(3-oxo-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-7-yl)acetamide?
The InChIKey is GIJZFJXINUOMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O2/c1-10(23)18-14-15-20-22(11-6-3-2-4-7-11)16(24)21(15)12-8-5-9-17-13(12)19-14/h2-9H,1H3,(H,17,18,19,23).
What are the key properties of N-(3-oxo-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-7-yl)acetamide?
N-(3-oxo-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-7-yl)acetamide has a molecular weight of 320.31 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-7-yl)acetamide is sourced from PubChem (CID 42626158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).