N-benzyl-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

C25H23N3O3 — CID 46273132

IUPACN-benzyl-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCC1(C(=O)NCc2ccccc2)Cn2c(cc3ccccc32)C(=O)N1Cc1ccco1
InChIInChI=1S/C25H23N3O3/c1-25(24(30)26-15-18-8-3-2-4-9-18)17-27-21-12-6-5-10-19(21)14-22(27)23(29)28(25)16-20-11-7-13-31-20/h2-14H,15-17H2,1H3,(H,26,30)
InChIKeyACUKIINYYSQWRZ-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.97
Rot. Bonds5

About N-benzyl-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

N-benzyl-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 46273132) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-benzyl-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID46273132
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC NameN-benzyl-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCC1(C(=O)NCc2ccccc2)Cn2c(cc3ccccc32)C(=O)N1Cc1ccco1
InChIInChI=1S/C25H23N3O3/c1-25(24(30)26-15-18-8-3-2-4-9-18)17-27-21-12-6-5-10-19(21)14-22(27)23(29)28(25)16-20-11-7-13-31-20/h2-14H,15-17H2,1H3,(H,26,30)
InChIKeyACUKIINYYSQWRZ-UHFFFAOYSA-N
XLogP3.97
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-benzyl-2-[(2-chlorophenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740254
(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-[(4-ethoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704851
(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
(3S)-N-benzyl-2-[(5-bromo-2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 98225429
(3R)-N-benzyl-2-[(5-bromo-2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 98225428
N-[2-(benzylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46261279
(3S)-N-benzyl-2-[2-(4-ethoxyphenyl)ethyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739961
(3R)-N,2-bis[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740147
N-benzyl-2-(1-benzylpiperidin-4-yl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273142
2-benzyl-3-methyl-1-oxo-N-(3-propan-2-yloxypropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273238

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of N-benzyl-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 46273132) is N-benzyl-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for N-benzyl-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for N-benzyl-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is CC1(C(=O)NCc2ccccc2)Cn2c(cc3ccccc32)C(=O)N1Cc1ccco1.
What is the InChIKey of N-benzyl-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is ACUKIINYYSQWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-25(24(30)26-15-18-8-3-2-4-9-18)17-27-21-12-6-5-10-19(21)14-22(27)23(29)28(25)16-20-11-7-13-31-20/h2-14H,15-17H2,1H3,(H,26,30).
What are the key properties of N-benzyl-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
N-benzyl-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 46273132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).