4-methyl-N-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydropyrazino[1,2-a]indole-7-carboxamide

C26H25N3O — CID 163572414

IUPAC4-methyl-N-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydropyrazino[1,2-a]indole-7-carboxamide
SMILESCc1ccc(-c2cccc(NC(=O)c3ccc4cc5n(c4c3)C(C)CNC5)c2)cc1
InChIInChI=1S/C26H25N3O/c1-17-6-8-19(9-7-17)20-4-3-5-23(12-20)28-26(30)22-11-10-21-13-24-16-27-15-18(2)29(24)25(21)14-22/h3-14,18,27H,15-16H2,1-2H3,(H,28,30)
InChIKeyGANQYMBVEIIZIR-UHFFFAOYSA-N
MW395.51 g/mol
LogP5.53
Rot. Bonds3

About 4-methyl-N-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydropyrazino[1,2-a]indole-7-carboxamide

4-methyl-N-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydropyrazino[1,2-a]indole-7-carboxamide (PubChem CID 163572414) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is 4-methyl-N-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydropyrazino[1,2-a]indole-7-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydropyrazino[1,2-a]indole-7-carboxamide
PubChem CID163572414
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC Name4-methyl-N-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydropyrazino[1,2-a]indole-7-carboxamide
SMILESCc1ccc(-c2cccc(NC(=O)c3ccc4cc5n(c4c3)C(C)CNC5)c2)cc1
InChIInChI=1S/C26H25N3O/c1-17-6-8-19(9-7-17)20-4-3-5-23(12-20)28-26(30)22-11-10-21-13-24-16-27-15-18(2)29(24)25(21)14-22/h3-14,18,27H,15-16H2,1-2H3,(H,28,30)
InChIKeyGANQYMBVEIIZIR-UHFFFAOYSA-N
XLogP5.53
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydropyrazino[1,2-a]indole-7-carboxamide with MolForge

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Related Compounds

N-[3-(2-methoxyphenyl)phenyl]-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
CID 15605247
3-[[3-(4-methylphenyl)phenyl]carbamoyl]benzoic acid
CID 143217956
(4R,5S)-4,5-dimethyl-1-oxo-N-pyridin-3-yl-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide
CID 57401162
N-(4-cyanophenyl)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
CID 15604994
N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-2,5-dimethylbenzamide
CID 87915967
4-[3-[(4-fluorobenzoyl)amino]phenyl]-N-hydroxybenzamide
CID 10308934
3,4-dimethyl-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
CID 76534805
N-(3-pyridin-4-ylphenyl)pyridine-4-carboxamide
CID 166320523
3-methoxy-N-(3-phenylphenyl)benzamide
CID 798645
N-(3-pyridin-3-ylphenyl)-4-pyrimidin-5-ylbenzamide
CID 25058459
N-cyclopentyl-3-[(4-methylbenzoyl)amino]benzamide
CID 2221852
4-methyl-N-(3-propan-2-yloxyphenyl)benzamide
CID 2989293

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydropyrazino[1,2-a]indole-7-carboxamide?
The IUPAC name of 4-methyl-N-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydropyrazino[1,2-a]indole-7-carboxamide (CID 163572414) is 4-methyl-N-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydropyrazino[1,2-a]indole-7-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydropyrazino[1,2-a]indole-7-carboxamide?
The canonical SMILES for 4-methyl-N-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydropyrazino[1,2-a]indole-7-carboxamide is Cc1ccc(-c2cccc(NC(=O)c3ccc4cc5n(c4c3)C(C)CNC5)c2)cc1.
What is the InChIKey of 4-methyl-N-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydropyrazino[1,2-a]indole-7-carboxamide?
The InChIKey is GANQYMBVEIIZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O/c1-17-6-8-19(9-7-17)20-4-3-5-23(12-20)28-26(30)22-11-10-21-13-24-16-27-15-18(2)29(24)25(21)14-22/h3-14,18,27H,15-16H2,1-2H3,(H,28,30).
What are the key properties of 4-methyl-N-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydropyrazino[1,2-a]indole-7-carboxamide?
4-methyl-N-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydropyrazino[1,2-a]indole-7-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 5.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydropyrazino[1,2-a]indole-7-carboxamide is sourced from PubChem (CID 163572414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).