6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide

C19H16N4O2 — CID 59472127

IUPAC6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide
SMILESCC(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C19H16N4O2/c1-12(24)13-7-9-14(10-8-13)16-11-21-18(20)17(23-16)19(25)22-15-5-3-2-4-6-15/h2-11H,1H3,(H2,20,21)(H,22,25)
InChIKeyMPTDFHDYGYKHLE-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.18
Rot. Bonds4

About 6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide

6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide (PubChem CID 59472127) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide
PubChem CID59472127
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide
SMILESCC(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C19H16N4O2/c1-12(24)13-7-9-14(10-8-13)16-11-21-18(20)17(23-16)19(25)22-15-5-3-2-4-6-15/h2-11H,1H3,(H2,20,21)(H,22,25)
InChIKeyMPTDFHDYGYKHLE-UHFFFAOYSA-N
XLogP3.18
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-6-[4-(methylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 52937456
3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471893
3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide
CID 59471810
3-amino-6-[4-(dipropylamino)phenyl]-N-phenylpyrazine-2-carboxamide
CID 163610371
3-amino-6-[4-(oxan-4-ylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471720
1-(3-amino-6-phenylpyrazin-2-yl)ethanone
CID 58840776
3-amino-6-(3-methoxyphenyl)-N-phenylpyrazine-2-carboxamide
CID 52937360
3-amino-6-(2-methylsulfinylphenyl)-N-phenylpyrazine-2-carboxamide
CID 52937254
3-amino-N-phenyl-6-[4-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen
CID 160987828
3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen
CID 159487418
3-amino-6-(2-methoxyphenyl)-N-phenylpyrazine-2-carboxamide
CID 52937257
[4-[(3-amino-6-phenylpyrazine-2-carbonyl)amino]phenyl]sulfonyloxy-methylphosphinic acid
CID 175401275

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide (CID 59472127) is 6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide is CC(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1.
What is the InChIKey of 6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide?
The InChIKey is MPTDFHDYGYKHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-12(24)13-7-9-14(10-8-13)16-11-21-18(20)17(23-16)19(25)22-15-5-3-2-4-6-15/h2-11H,1H3,(H2,20,21)(H,22,25).
What are the key properties of 6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide?
6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 59472127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).