(3R)-2,3-dimethyl-1-oxo-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-4H-pyrazino[1,2-a]indole-3-carboxamide

C22H23N5O3 — CID 92749899

IUPAC(3R)-2,3-dimethyl-1-oxo-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NCC(=O)NCc1ccccn1
InChIInChI=1S/C22H23N5O3/c1-22(21(30)25-13-19(28)24-12-16-8-5-6-10-23-16)14-27-17-9-4-3-7-15(17)11-18(27)20(29)26(22)2/h3-11H,12-14H2,1-2H3,(H,24,28)(H,25,30)/t22-/m1/s1
InChIKeyIZQOIBNDAXYXIC-JOCHJYFZSA-N
MW405.46 g/mol
LogP1.31
Rot. Bonds5

About (3R)-2,3-dimethyl-1-oxo-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-4H-pyrazino[1,2-a]indole-3-carboxamide

(3R)-2,3-dimethyl-1-oxo-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 92749899) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is (3R)-2,3-dimethyl-1-oxo-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound Name(3R)-2,3-dimethyl-1-oxo-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID92749899
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name(3R)-2,3-dimethyl-1-oxo-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NCC(=O)NCc1ccccn1
InChIInChI=1S/C22H23N5O3/c1-22(21(30)25-13-19(28)24-12-16-8-5-6-10-23-16)14-27-17-9-4-3-7-15(17)11-18(27)20(29)26(22)2/h3-11H,12-14H2,1-2H3,(H,24,28)(H,25,30)/t22-/m1/s1
InChIKeyIZQOIBNDAXYXIC-JOCHJYFZSA-N
XLogP1.31
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-(cyclopropylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 20948496
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
(3S)-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(pyridin-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740190
(6S)-6-N-benzyl-5,6-dimethyl-4-oxo-2-N-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743751
(6S)-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-2-N-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744066
5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-2-N-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758762
(3R)-N-benzyl-3-methyl-2-(3-methylbutyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740266
N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]propanamide
CID 47412168
(3R)-N,2-bis[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740147
(3R)-2-ethyl-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740158

Frequently Asked Questions

What is the IUPAC name of (3R)-2,3-dimethyl-1-oxo-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of (3R)-2,3-dimethyl-1-oxo-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 92749899) is (3R)-2,3-dimethyl-1-oxo-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for (3R)-2,3-dimethyl-1-oxo-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for (3R)-2,3-dimethyl-1-oxo-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-4H-pyrazino[1,2-a]indole-3-carboxamide is CN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NCC(=O)NCc1ccccn1.
What is the InChIKey of (3R)-2,3-dimethyl-1-oxo-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is IZQOIBNDAXYXIC-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-22(21(30)25-13-19(28)24-12-16-8-5-6-10-23-16)14-27-17-9-4-3-7-15(17)11-18(27)20(29)26(22)2/h3-11H,12-14H2,1-2H3,(H,24,28)(H,25,30)/t22-/m1/s1.
What are the key properties of (3R)-2,3-dimethyl-1-oxo-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-4H-pyrazino[1,2-a]indole-3-carboxamide?
(3R)-2,3-dimethyl-1-oxo-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,3-dimethyl-1-oxo-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 92749899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).