3-amino-6-(3-cyanophenyl)-N-phenylpyrazine-2-carboxamide;molecular hydrogen

C18H19N5O — CID 157255124

IUPAC3-amino-6-(3-cyanophenyl)-N-phenylpyrazine-2-carboxamide;molecular hydrogen
SMILESN#Cc1cccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)c1.[H][H].[H][H].[H][H]
InChIInChI=1S/C18H13N5O.3H2/c19-10-12-5-4-6-13(9-12)15-11-21-17(20)16(23-15)18(24)22-14-7-2-1-3-8-14;;;/h1-9,11H,(H2,20,21)(H,22,24);3*1H
InChIKeyAWUKQMSEFGDYAK-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.59
Rot. Bonds3

About 3-amino-6-(3-cyanophenyl)-N-phenylpyrazine-2-carboxamide;molecular hydrogen

3-amino-6-(3-cyanophenyl)-N-phenylpyrazine-2-carboxamide;molecular hydrogen (PubChem CID 157255124) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-amino-6-(3-cyanophenyl)-N-phenylpyrazine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name3-amino-6-(3-cyanophenyl)-N-phenylpyrazine-2-carboxamide;molecular hydrogen
PubChem CID157255124
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name3-amino-6-(3-cyanophenyl)-N-phenylpyrazine-2-carboxamide;molecular hydrogen
SMILESN#Cc1cccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)c1.[H][H].[H][H].[H][H]
InChIInChI=1S/C18H13N5O.3H2/c19-10-12-5-4-6-13(9-12)15-11-21-17(20)16(23-15)18(24)22-14-7-2-1-3-8-14;;;/h1-9,11H,(H2,20,21)(H,22,24);3*1H
InChIKeyAWUKQMSEFGDYAK-UHFFFAOYSA-N
XLogP3.59
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-6-(3-methoxyphenyl)-N-phenylpyrazine-2-carboxamide
CID 52937360
3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide
CID 59471810
6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide
CID 59472127
3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471893
3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471661
3-amino-N-(3-cyanophenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide;hydrochloride
CID 10052171
6-(3-aminophenyl)-3-methyl-N-phenylpyrazine-2-carboxamide
CID 160820258
3-amino-6-[4-(methylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 52937456
3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen
CID 158114259
3-amino-6-(2-methoxyphenyl)-N-phenylpyrazine-2-carboxamide
CID 52937257
3-amino-6-(2-methylsulfinylphenyl)-N-phenylpyrazine-2-carboxamide
CID 52937254
3-amino-6-[4-(dipropylamino)phenyl]-N-phenylpyrazine-2-carboxamide
CID 163610371

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3-cyanophenyl)-N-phenylpyrazine-2-carboxamide;molecular hydrogen?
The IUPAC name of 3-amino-6-(3-cyanophenyl)-N-phenylpyrazine-2-carboxamide;molecular hydrogen (CID 157255124) is 3-amino-6-(3-cyanophenyl)-N-phenylpyrazine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for 3-amino-6-(3-cyanophenyl)-N-phenylpyrazine-2-carboxamide;molecular hydrogen?
The canonical SMILES for 3-amino-6-(3-cyanophenyl)-N-phenylpyrazine-2-carboxamide;molecular hydrogen is N#Cc1cccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)c1.[H][H].[H][H].[H][H].
What is the InChIKey of 3-amino-6-(3-cyanophenyl)-N-phenylpyrazine-2-carboxamide;molecular hydrogen?
The InChIKey is AWUKQMSEFGDYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O.3H2/c19-10-12-5-4-6-13(9-12)15-11-21-17(20)16(23-15)18(24)22-14-7-2-1-3-8-14;;;/h1-9,11H,(H2,20,21)(H,22,24);3*1H.
What are the key properties of 3-amino-6-(3-cyanophenyl)-N-phenylpyrazine-2-carboxamide;molecular hydrogen?
3-amino-6-(3-cyanophenyl)-N-phenylpyrazine-2-carboxamide;molecular hydrogen has a molecular weight of 321.38 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(3-cyanophenyl)-N-phenylpyrazine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 157255124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).