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

C19H22N4O3 — CID 20948496

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCN1C(=O)c2cc3ccccc3n2CC1(C)C(=O)NCC(=O)NC1CC1
InChIInChI=1S/C19H22N4O3/c1-19(18(26)20-10-16(24)21-13-7-8-13)11-23-14-6-4-3-5-12(14)9-15(23)17(25)22(19)2/h3-6,9,13H,7-8,10-11H2,1-2H3,(H,20,26)(H,21,24)
InChIKeyWMNJMRDFRMFNIS-UHFFFAOYSA-N
MW354.41 g/mol
LogP0.88
Rot. Bonds4

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

N-[2-(cyclopropylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 20948496) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID20948496
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCN1C(=O)c2cc3ccccc3n2CC1(C)C(=O)NCC(=O)NC1CC1
InChIInChI=1S/C19H22N4O3/c1-19(18(26)20-10-16(24)21-13-7-8-13)11-23-14-6-4-3-5-12(14)9-15(23)17(25)22(19)2/h3-6,9,13H,7-8,10-11H2,1-2H3,(H,20,26)(H,21,24)
InChIKeyWMNJMRDFRMFNIS-UHFFFAOYSA-N
XLogP0.88
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[2-(benzylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46261279
N-[2-(3-methoxypropylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46340940
(3S)-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92735159
(3R)-2,3-dimethyl-1-oxo-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92749899
(3R)-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92735129
N-[2-[2-(4-ethoxyphenyl)ethylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46261274
N-cycloheptyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273111
(3R)-N-cycloheptyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739922
2-butyl-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 50756930
(3S)-N-cycloheptyl-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739929
N-cycloheptyl-3-methyl-2-[(4-methylphenyl)methyl]-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 22523330
(3R)-N-cyclopentyl-2-cyclopropyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92903630

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 20948496) is N-[2-(cyclopropylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is CN1C(=O)c2cc3ccccc3n2CC1(C)C(=O)NCC(=O)NC1CC1.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is WMNJMRDFRMFNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-19(18(26)20-10-16(24)21-13-7-8-13)11-23-14-6-4-3-5-12(14)9-15(23)17(25)22(19)2/h3-6,9,13H,7-8,10-11H2,1-2H3,(H,20,26)(H,21,24).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 20948496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).