6-(3-aminophenyl)-3-methyl-N-phenylpyrazine-2-carboxamide

C18H16N4O — CID 160820258

IUPAC6-(3-aminophenyl)-3-methyl-N-phenylpyrazine-2-carboxamide
SMILESCc1ncc(-c2cccc(N)c2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C18H16N4O/c1-12-17(18(23)21-15-8-3-2-4-9-15)22-16(11-20-12)13-6-5-7-14(19)10-13/h2-11H,19H2,1H3,(H,21,23)
InChIKeyDBCDCVBJRFEYBF-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.29
Rot. Bonds3

About 6-(3-aminophenyl)-3-methyl-N-phenylpyrazine-2-carboxamide

6-(3-aminophenyl)-3-methyl-N-phenylpyrazine-2-carboxamide (PubChem CID 160820258) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 6-(3-aminophenyl)-3-methyl-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(3-aminophenyl)-3-methyl-N-phenylpyrazine-2-carboxamide
PubChem CID160820258
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name6-(3-aminophenyl)-3-methyl-N-phenylpyrazine-2-carboxamide
SMILESCc1ncc(-c2cccc(N)c2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C18H16N4O/c1-12-17(18(23)21-15-8-3-2-4-9-15)22-16(11-20-12)13-6-5-7-14(19)10-13/h2-11H,19H2,1H3,(H,21,23)
InChIKeyDBCDCVBJRFEYBF-UHFFFAOYSA-N
XLogP3.29
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-methyl-6-(3-morpholin-4-ylphenyl)-N-phenylpyrazine-2-carboxamide
CID 91110077
3-methyl-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 158922559
3-amino-6-(3-methoxyphenyl)-N-phenylpyrazine-2-carboxamide
CID 52937360
N-(3-carbamoylphenyl)-3-methyl-6-pyridin-3-ylpyrazine-2-carboxamide;molecular hydrogen
CID 160655859
3-amino-6-(3-cyanophenyl)-N-phenylpyrazine-2-carboxamide;molecular hydrogen
CID 157255124
3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471661
3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide
CID 59471810
6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide
CID 59472127
CID 59472039
CID 59472039
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-6-(3-aminophenyl)-N-butan-2-ylpyrazine-2-carboxamide
CID 122185569

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminophenyl)-3-methyl-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 6-(3-aminophenyl)-3-methyl-N-phenylpyrazine-2-carboxamide (CID 160820258) is 6-(3-aminophenyl)-3-methyl-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 6-(3-aminophenyl)-3-methyl-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 6-(3-aminophenyl)-3-methyl-N-phenylpyrazine-2-carboxamide is Cc1ncc(-c2cccc(N)c2)nc1C(=O)Nc1ccccc1.
What is the InChIKey of 6-(3-aminophenyl)-3-methyl-N-phenylpyrazine-2-carboxamide?
The InChIKey is DBCDCVBJRFEYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-12-17(18(23)21-15-8-3-2-4-9-15)22-16(11-20-12)13-6-5-7-14(19)10-13/h2-11H,19H2,1H3,(H,21,23).
What are the key properties of 6-(3-aminophenyl)-3-methyl-N-phenylpyrazine-2-carboxamide?
6-(3-aminophenyl)-3-methyl-N-phenylpyrazine-2-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminophenyl)-3-methyl-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 160820258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).