N-(4-cyanophenyl)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide

C20H16N4O2 — CID 15604994

IUPACN-(4-cyanophenyl)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
SMILESCC1CNC(=O)c2cc3ccc(C(=O)Nc4ccc(C#N)cc4)cc3n21
InChIInChI=1S/C20H16N4O2/c1-12-11-22-20(26)18-8-14-4-5-15(9-17(14)24(12)18)19(25)23-16-6-2-13(10-21)3-7-16/h2-9,12H,11H2,1H3,(H,22,26)(H,23,25)
InChIKeyZTUBCWHAFQNZCB-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.07
Rot. Bonds2

About N-(4-cyanophenyl)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide

N-(4-cyanophenyl)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide (PubChem CID 15604994) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
PubChem CID15604994
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC NameN-(4-cyanophenyl)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
SMILESCC1CNC(=O)c2cc3ccc(C(=O)Nc4ccc(C#N)cc4)cc3n21
InChIInChI=1S/C20H16N4O2/c1-12-11-22-20(26)18-8-14-4-5-15(9-17(14)24(12)18)19(25)23-16-6-2-13(10-21)3-7-16/h2-9,12H,11H2,1H3,(H,22,26)(H,23,25)
InChIKeyZTUBCWHAFQNZCB-UHFFFAOYSA-N
XLogP3.07
TPSA86.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide (CID 15604994) is N-(4-cyanophenyl)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide is CC1CNC(=O)c2cc3ccc(C(=O)Nc4ccc(C#N)cc4)cc3n21.
What is the InChIKey of N-(4-cyanophenyl)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The InChIKey is ZTUBCWHAFQNZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-12-11-22-20(26)18-8-14-4-5-15(9-17(14)24(12)18)19(25)23-16-6-2-13(10-21)3-7-16/h2-9,12H,11H2,1H3,(H,22,26)(H,23,25).
What are the key properties of N-(4-cyanophenyl)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
N-(4-cyanophenyl)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide is sourced from PubChem (CID 15604994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).