3-[5-amino-6-[2-(4-methylphenyl)acetyl]pyrazin-2-yl]-N-benzylbenzamide

C27H24N4O2 — CID 68650974

IUPAC3-[5-amino-6-[2-(4-methylphenyl)acetyl]pyrazin-2-yl]-N-benzylbenzamide
SMILESCc1ccc(CC(=O)c2nc(-c3cccc(C(=O)NCc4ccccc4)c3)cnc2N)cc1
InChIInChI=1S/C27H24N4O2/c1-18-10-12-19(13-11-18)14-24(32)25-26(28)29-17-23(31-25)21-8-5-9-22(15-21)27(33)30-16-20-6-3-2-4-7-20/h2-13,15,17H,14,16H2,1H3,(H2,28,29)(H,30,33)
InChIKeyBMKMZCQHBDQYIE-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.39
Rot. Bonds7

About 3-[5-amino-6-[2-(4-methylphenyl)acetyl]pyrazin-2-yl]-N-benzylbenzamide

3-[5-amino-6-[2-(4-methylphenyl)acetyl]pyrazin-2-yl]-N-benzylbenzamide (PubChem CID 68650974) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 3-[5-amino-6-[2-(4-methylphenyl)acetyl]pyrazin-2-yl]-N-benzylbenzamide.

Molecular Properties

Compound Name3-[5-amino-6-[2-(4-methylphenyl)acetyl]pyrazin-2-yl]-N-benzylbenzamide
PubChem CID68650974
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC Name3-[5-amino-6-[2-(4-methylphenyl)acetyl]pyrazin-2-yl]-N-benzylbenzamide
SMILESCc1ccc(CC(=O)c2nc(-c3cccc(C(=O)NCc4ccccc4)c3)cnc2N)cc1
InChIInChI=1S/C27H24N4O2/c1-18-10-12-19(13-11-18)14-24(32)25-26(28)29-17-23(31-25)21-8-5-9-22(15-21)27(33)30-16-20-6-3-2-4-7-20/h2-13,15,17H,14,16H2,1H3,(H2,28,29)(H,30,33)
InChIKeyBMKMZCQHBDQYIE-UHFFFAOYSA-N
XLogP4.39
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxylic acid
CID 68650248
3-[5-amino-6-[4-(dimethylamino)benzoyl]pyrazin-2-yl]-N-benzylbenzamide
CID 68651666
3-[5-amino-6-[(Z)-N'-anilinocarbamimidoyl]pyrazin-2-yl]-N-benzylbenzamide
CID 140507460
3-amino-N-[2-[[3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carbonyl]amino]cyclohexyl]-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 68650751
3-[5-amino-6-[N-(carbamohydrazonoylamino)-C-methylcarbonimidoyl]pyrazin-2-yl]-N-benzylbenzamide
CID 90946975
3-[5-amino-6-[(Z)-N'-(azepan-1-yl)carbamimidoyl]pyrazin-2-yl]-N-benzylbenzamide
CID 87530678
3-[5-amino-6-(1,5-diphenyl-1,2,4-triazol-3-yl)pyrazin-2-yl]-N-benzylbenzamide
CID 68650987
3-amino-6-[3-[(4-hydroxyphenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 68651766
3-amino-N-methyl-6-[3-[(2-methylphenyl)methylcarbamoyl]phenyl]pyrazine-2-carboxamide
CID 68652174
3-[[3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carbonyl]amino]propyl N-(2-methylpropyl)carbamate
CID 90992558
3-amino-6-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide
CID 68651456
3-amino-6-[3-(benzylcarbamoyl)phenyl]-N-[(3S)-1-ethylpyrrolidin-3-yl]pyrazine-2-carboxamide
CID 68650566

Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-6-[2-(4-methylphenyl)acetyl]pyrazin-2-yl]-N-benzylbenzamide?
The IUPAC name of 3-[5-amino-6-[2-(4-methylphenyl)acetyl]pyrazin-2-yl]-N-benzylbenzamide (CID 68650974) is 3-[5-amino-6-[2-(4-methylphenyl)acetyl]pyrazin-2-yl]-N-benzylbenzamide.
What is the SMILES notation for 3-[5-amino-6-[2-(4-methylphenyl)acetyl]pyrazin-2-yl]-N-benzylbenzamide?
The canonical SMILES for 3-[5-amino-6-[2-(4-methylphenyl)acetyl]pyrazin-2-yl]-N-benzylbenzamide is Cc1ccc(CC(=O)c2nc(-c3cccc(C(=O)NCc4ccccc4)c3)cnc2N)cc1.
What is the InChIKey of 3-[5-amino-6-[2-(4-methylphenyl)acetyl]pyrazin-2-yl]-N-benzylbenzamide?
The InChIKey is BMKMZCQHBDQYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c1-18-10-12-19(13-11-18)14-24(32)25-26(28)29-17-23(31-25)21-8-5-9-22(15-21)27(33)30-16-20-6-3-2-4-7-20/h2-13,15,17H,14,16H2,1H3,(H2,28,29)(H,30,33).
What are the key properties of 3-[5-amino-6-[2-(4-methylphenyl)acetyl]pyrazin-2-yl]-N-benzylbenzamide?
3-[5-amino-6-[2-(4-methylphenyl)acetyl]pyrazin-2-yl]-N-benzylbenzamide has a molecular weight of 436.52 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-6-[2-(4-methylphenyl)acetyl]pyrazin-2-yl]-N-benzylbenzamide is sourced from PubChem (CID 68650974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).