N-(6-amino-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)piperazine-2-carboxamide

C22H24N6O2 — CID 10111845

IUPACN-(6-amino-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)piperazine-2-carboxamide
SMILESNc1cc2c3c(c1)C(c1ccccc1)=NC(NC(=O)C1CNCCN1)C(=O)N3CC2
InChIInChI=1S/C22H24N6O2/c23-15-10-14-6-9-28-19(14)16(11-15)18(13-4-2-1-3-5-13)26-20(22(28)30)27-21(29)17-12-24-7-8-25-17/h1-5,10-11,17,20,24-25H,6-9,12,23H2,(H,27,29)
InChIKeyMZIHNDYNTXCSJE-UHFFFAOYSA-N
MW404.47 g/mol
LogP0.01
Rot. Bonds3

About N-(6-amino-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)piperazine-2-carboxamide

N-(6-amino-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)piperazine-2-carboxamide (PubChem CID 10111845) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-(6-amino-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)piperazine-2-carboxamide
PubChem CID10111845
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC NameN-(6-amino-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)piperazine-2-carboxamide
SMILESNc1cc2c3c(c1)C(c1ccccc1)=NC(NC(=O)C1CNCCN1)C(=O)N3CC2
InChIInChI=1S/C22H24N6O2/c23-15-10-14-6-9-28-19(14)16(11-15)18(13-4-2-1-3-5-13)26-20(22(28)30)27-21(29)17-12-24-7-8-25-17/h1-5,10-11,17,20,24-25H,6-9,12,23H2,(H,27,29)
InChIKeyMZIHNDYNTXCSJE-UHFFFAOYSA-N
XLogP0.01
TPSA111.85 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 50.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(6-amino-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)piperazine-2-carboxamide with MolForge

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Related Compounds

N-[(11R)-6-amino-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyrazine-2-carboxamide
CID 54181031
6,11-diamino-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one
CID 21201461
4-amino-N-[(11R)-6-amino-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]-5-chloro-2-methoxybenzamide
CID 15384036
2-amino-N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]benzamide
CID 11069607
4-amino-3,5-dichloro-N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]benzamide
CID 10648358
2-hydroxyethyl 11-benzamido-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraene-6-carboxylate
CID 18714939
4-fluoro-N-[(11R)-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]benzamide
CID 70108759
N-[(11R)-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]-1H-indole-2-carboxamide
CID 10342086
N-(12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)-6,7-dihydro-1H-indole-2-carboxamide
CID 142975076
3,4,5-trimethoxy-N-(12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)benzamide
CID 22098181
3,4,5-trimethoxy-N-[(11R)-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]benzamide
CID 15816256
(11R)-11-amino-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one
CID 10084879

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)piperazine-2-carboxamide?
The IUPAC name of N-(6-amino-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)piperazine-2-carboxamide (CID 10111845) is N-(6-amino-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)piperazine-2-carboxamide.
What is the SMILES notation for N-(6-amino-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)piperazine-2-carboxamide?
The canonical SMILES for N-(6-amino-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)piperazine-2-carboxamide is Nc1cc2c3c(c1)C(c1ccccc1)=NC(NC(=O)C1CNCCN1)C(=O)N3CC2.
What is the InChIKey of N-(6-amino-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)piperazine-2-carboxamide?
The InChIKey is MZIHNDYNTXCSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c23-15-10-14-6-9-28-19(14)16(11-15)18(13-4-2-1-3-5-13)26-20(22(28)30)27-21(29)17-12-24-7-8-25-17/h1-5,10-11,17,20,24-25H,6-9,12,23H2,(H,27,29).
What are the key properties of N-(6-amino-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)piperazine-2-carboxamide?
N-(6-amino-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)piperazine-2-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 0.01, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)piperazine-2-carboxamide is sourced from PubChem (CID 10111845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).