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

C20H26N4O4 — CID 46340940

IUPACN-[2-(3-methoxypropylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCOCCCNC(=O)CNC(=O)C1(C)Cn2c(cc3ccccc32)C(=O)N1C
InChIInChI=1S/C20H26N4O4/c1-20(19(27)22-12-17(25)21-9-6-10-28-3)13-24-15-8-5-4-7-14(15)11-16(24)18(26)23(20)2/h4-5,7-8,11H,6,9-10,12-13H2,1-3H3,(H,21,25)(H,22,27)
InChIKeyRSVOXBCYZHQLGT-UHFFFAOYSA-N
MW386.45 g/mol
LogP0.75
Rot. Bonds7

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

N-[2-(3-methoxypropylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 46340940) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[2-(3-methoxypropylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxypropylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID46340940
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC NameN-[2-(3-methoxypropylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCOCCCNC(=O)CNC(=O)C1(C)Cn2c(cc3ccccc32)C(=O)N1C
InChIInChI=1S/C20H26N4O4/c1-20(19(27)22-12-17(25)21-9-6-10-28-3)13-24-15-8-5-4-7-14(15)11-16(24)18(26)23(20)2/h4-5,7-8,11H,6,9-10,12-13H2,1-3H3,(H,21,25)(H,22,27)
InChIKeyRSVOXBCYZHQLGT-UHFFFAOYSA-N
XLogP0.75
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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
(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-[2-(4-ethoxyphenyl)ethylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46261274
N-[2-(cyclopropylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 20948496
(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
2-benzyl-3-methyl-1-oxo-N-(3-propan-2-yloxypropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273238
2-ethyl-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46340953
(3S)-N-cycloheptyl-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739929
(3R)-2-[(4-ethylphenyl)methyl]-3-methyl-1-oxo-N-(3-propan-2-yloxypropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740238
3-methyl-2-[(2-methylphenyl)methyl]-1-oxo-N-(3-propan-2-yloxypropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273257
(3S)-2-butyl-3-methyl-N-(3-methylbutyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740065

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of N-[2-(3-methoxypropylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 46340940) is N-[2-(3-methoxypropylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for N-[2-(3-methoxypropylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for N-[2-(3-methoxypropylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is COCCCNC(=O)CNC(=O)C1(C)Cn2c(cc3ccccc32)C(=O)N1C.
What is the InChIKey of N-[2-(3-methoxypropylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is RSVOXBCYZHQLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-20(19(27)22-12-17(25)21-9-6-10-28-3)13-24-15-8-5-4-7-14(15)11-16(24)18(26)23(20)2/h4-5,7-8,11H,6,9-10,12-13H2,1-3H3,(H,21,25)(H,22,27).
What are the key properties of N-[2-(3-methoxypropylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
N-[2-(3-methoxypropylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 46340940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).