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)-2-phenylacetamide

C22H16N6O2 — CID 42626220

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)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12
InChIInChI=1S/C22H16N6O2/c29-18(14-15-8-3-1-4-9-15)24-20-21-26-28(16-10-5-2-6-11-16)22(30)27(21)17-12-7-13-23-19(17)25-20/h1-13H,14H2,(H,23,24,25,29)
InChIKeyPWWAJFDRORIJNJ-UHFFFAOYSA-N
MW396.41 g/mol
LogP2.61
Rot. Bonds4

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)-2-phenylacetamide

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)-2-phenylacetamide (PubChem CID 42626220) has the molecular formula C22H16N6O2 and a molecular weight of 396.41 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)-2-phenylacetamide.

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)-2-phenylacetamide
PubChem CID42626220
Molecular FormulaC22H16N6O2
Molecular Weight396.41 g/mol
Exact Mass396.13
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)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12
InChIInChI=1S/C22H16N6O2/c29-18(14-15-8-3-1-4-9-15)24-20-21-26-28(16-10-5-2-6-11-16)22(30)27(21)17-12-7-13-23-19(17)25-20/h1-13H,14H2,(H,23,24,25,29)
InChIKeyPWWAJFDRORIJNJ-UHFFFAOYSA-N
XLogP2.61
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 52.61
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)-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Phenyl-1-(pyridin-2-yl)-4,5-dihydro-1h-pyrazol-5-one
CID 14050877
N-(5-(4-Acetylpiperazin-1-yl)pyridin-2-yl)-2-(2',3-dimethyl-[2,4'-bipyridin]-5-yl)acetamide
CID 46927217
N-[2-(Methylamino)-2-Oxidanylidene-Ethyl]-2-(4-Pyrazol-1-Ylphenyl)-N-(1-Pyridin-2-Ylpiperidin-4-Yl)ethanamide
CID 122391195
2-(Phenylamino)-6-(3-acetamidophenyl)pyrazine
CID 11515006
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-(5-Phenylacetylamino-pyridin-2-yl)-benzamide
CID 1449146
4-methyl-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]benzamide
CID 2768253
2-(1-oxo-4-phenylphthalazin-2-yl)-N-pyridin-2-ylacetamide
CID 1125223
Cyclopropanecarboxylic acid (5-phenylacetylamino-pyridin-2-yl)-amide
CID 655454
2-Phenyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)phthalazin-1-one
CID 3353614
Biphenyl-4-carboxylic acid [6-(3-methylamino-pyrrolidin-1-yl)-pyridin-3-yl]-amide
CID 11610423

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)-2-phenylacetamide?
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)-2-phenylacetamide (CID 42626220) 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)-2-phenylacetamide.
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)-2-phenylacetamide?
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)-2-phenylacetamide is O=C(Cc1ccccc1)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)-2-phenylacetamide?
The InChIKey is PWWAJFDRORIJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6O2/c29-18(14-15-8-3-1-4-9-15)24-20-21-26-28(16-10-5-2-6-11-16)22(30)27(21)17-12-7-13-23-19(17)25-20/h1-13H,14H2,(H,23,24,25,29).
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)-2-phenylacetamide?
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)-2-phenylacetamide has a molecular weight of 396.41 g/mol, XLogP of 2.61, 4 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)-2-phenylacetamide is sourced from PubChem (CID 42626220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).