3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxylic acid

C19H16N4O3 — CID 68650248

IUPAC3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxylic acid
SMILESNc1ncc(-c2cccc(C(=O)NCc3ccccc3)c2)nc1C(=O)O
InChIInChI=1S/C19H16N4O3/c20-17-16(19(25)26)23-15(11-21-17)13-7-4-8-14(9-13)18(24)22-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H2,20,21)(H,22,24)(H,25,26)
InChIKeyMFJZAXHDNALWBD-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.35
Rot. Bonds5

About 3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxylic acid

3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxylic acid (PubChem CID 68650248) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxylic acid
PubChem CID68650248
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxylic acid
SMILESNc1ncc(-c2cccc(C(=O)NCc3ccccc3)c2)nc1C(=O)O
InChIInChI=1S/C19H16N4O3/c20-17-16(19(25)26)23-15(11-21-17)13-7-4-8-14(9-13)18(24)22-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H2,20,21)(H,22,24)(H,25,26)
InChIKeyMFJZAXHDNALWBD-UHFFFAOYSA-N
XLogP2.35
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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-[5-amino-6-[2-(4-methylphenyl)acetyl]pyrazin-2-yl]-N-benzylbenzamide
CID 68650974
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-[(Z)-N'-(azepan-1-yl)carbamimidoyl]pyrazin-2-yl]-N-benzylbenzamide
CID 87530678
3-[5-amino-6-[N-(carbamohydrazonoylamino)-C-methylcarbonimidoyl]pyrazin-2-yl]-N-benzylbenzamide
CID 90946975
3-[5-amino-6-(1,5-diphenyl-1,2,4-triazol-3-yl)pyrazin-2-yl]-N-benzylbenzamide
CID 68650987
3-amino-6-[3-(benzylcarbamoyl)phenyl]-N-[(3S)-1-ethylpyrrolidin-3-yl]pyrazine-2-carboxamide
CID 68650566
3-[[3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carbonyl]amino]propyl N-(2-methylpropyl)carbamate
CID 90992558
3-[5-amino-6-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrazin-2-yl]-N-benzylbenzamide
CID 87530745
3-amino-6-[3-[(4-hydroxyphenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 68651766
3-amino-6-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide
CID 68651456

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxylic acid (CID 68650248) is 3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxylic acid is Nc1ncc(-c2cccc(C(=O)NCc3ccccc3)c2)nc1C(=O)O.
What is the InChIKey of 3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxylic acid?
The InChIKey is MFJZAXHDNALWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c20-17-16(19(25)26)23-15(11-21-17)13-7-4-8-14(9-13)18(24)22-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H2,20,21)(H,22,24)(H,25,26).
What are the key properties of 3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxylic acid?
3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxylic acid has a molecular weight of 348.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 68650248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).