N-[2-(benzylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

C23H24N4O3 — CID 46261279

IUPACN-[2-(benzylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCN1C(=O)c2cc3ccccc3n2CC1(C)C(=O)NCC(=O)NCc1ccccc1
InChIInChI=1S/C23H24N4O3/c1-23(22(30)25-14-20(28)24-13-16-8-4-3-5-9-16)15-27-18-11-7-6-10-17(18)12-19(27)21(29)26(23)2/h3-12H,13-15H2,1-2H3,(H,24,28)(H,25,30)
InChIKeyFQQHMUPZLBDUIH-UHFFFAOYSA-N
MW404.47 g/mol
LogP1.92
Rot. Bonds5

About N-[2-(benzylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

N-[2-(benzylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 46261279) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[2-(benzylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(benzylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID46261279
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[2-(benzylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCN1C(=O)c2cc3ccccc3n2CC1(C)C(=O)NCC(=O)NCc1ccccc1
InChIInChI=1S/C23H24N4O3/c1-23(22(30)25-14-20(28)24-13-16-8-4-3-5-9-16)15-27-18-11-7-6-10-17(18)12-19(27)21(29)26(23)2/h3-12H,13-15H2,1-2H3,(H,24,28)(H,25,30)
InChIKeyFQQHMUPZLBDUIH-UHFFFAOYSA-N
XLogP1.92
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(benzylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide with MolForge

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Related Compounds

(3R)-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92735129
(3R)-2,3-dimethyl-1-oxo-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92749899
N-[2-(cyclopropylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 20948496
(3S)-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92735159
N-[2-(3-methoxypropylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46340940
N-[2-[2-(4-ethoxyphenyl)ethylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46261274
(3R)-N-benzyl-3-methyl-2-(3-methylbutyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740266
(3R)-N-benzyl-3-methyl-1-oxo-2-[(2S)-2-phenylpropyl]-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740278
N-benzyl-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273132
(3R)-N-benzyl-2-[(3-chlorophenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740250
(3R)-N-benzyl-2-[(2-chlorophenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740254
(3S)-N-benzyl-2-[2-(4-ethoxyphenyl)ethyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739961

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 46261279) is N-[2-(benzylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for N-[2-(benzylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for N-[2-(benzylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is CN1C(=O)c2cc3ccccc3n2CC1(C)C(=O)NCC(=O)NCc1ccccc1.
What is the InChIKey of N-[2-(benzylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is FQQHMUPZLBDUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-23(22(30)25-14-20(28)24-13-16-8-4-3-5-9-16)15-27-18-11-7-6-10-17(18)12-19(27)21(29)26(23)2/h3-12H,13-15H2,1-2H3,(H,24,28)(H,25,30).
What are the key properties of N-[2-(benzylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
N-[2-(benzylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 46261279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).