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

C24H26N4O4 — CID 92735129

IUPAC(3R)-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCOc1cccc(CNC(=O)CNC(=O)[C@@]2(C)Cn3c(cc4ccccc43)C(=O)N2C)c1
InChIInChI=1S/C24H26N4O4/c1-24(15-28-19-10-5-4-8-17(19)12-20(28)22(30)27(24)2)23(31)26-14-21(29)25-13-16-7-6-9-18(11-16)32-3/h4-12H,13-15H2,1-3H3,(H,25,29)(H,26,31)/t24-/m1/s1
InChIKeyPPVMGUVNRMOXGC-XMMPIXPASA-N
MW434.50 g/mol
LogP1.93
Rot. Bonds6

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

(3R)-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 92735129) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is (3R)-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID92735129
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name(3R)-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCOc1cccc(CNC(=O)CNC(=O)[C@@]2(C)Cn3c(cc4ccccc43)C(=O)N2C)c1
InChIInChI=1S/C24H26N4O4/c1-24(15-28-19-10-5-4-8-17(19)12-20(28)22(30)27(24)2)23(31)26-14-21(29)25-13-16-7-6-9-18(11-16)32-3/h4-12H,13-15H2,1-3H3,(H,25,29)(H,26,31)/t24-/m1/s1
InChIKeyPPVMGUVNRMOXGC-XMMPIXPASA-N
XLogP1.93
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

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
(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-[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
(3S)-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92735159
2-ethyl-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46340953
(3S)-2-[(3-methoxyphenyl)methyl]-3-methyl-1-oxo-N-(3-propan-2-yloxypropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740215
N-cyclopentyl-2-[(3-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 50756892
(3R)-N-benzyl-3-methyl-2-(3-methylbutyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740266
(3S)-N-benzyl-2-[2-(4-ethoxyphenyl)ethyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739961
(3R)-N-benzyl-2-[(4-ethoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704851

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of (3R)-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 92735129) is (3R)-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for (3R)-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is COc1cccc(CNC(=O)CNC(=O)[C@@]2(C)Cn3c(cc4ccccc43)C(=O)N2C)c1.
What is the InChIKey of (3R)-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is PPVMGUVNRMOXGC-XMMPIXPASA-N. The full InChI is InChI=1S/C24H26N4O4/c1-24(15-28-19-10-5-4-8-17(19)12-20(28)22(30)27(24)2)23(31)26-14-21(29)25-13-16-7-6-9-18(11-16)32-3/h4-12H,13-15H2,1-3H3,(H,25,29)(H,26,31)/t24-/m1/s1.
What are the key properties of (3R)-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
(3R)-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 92735129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).