3-amino-6-(3-methoxyphenyl)-N-phenylpyrazine-2-carboxamide

C18H16N4O2 — CID 52937360

IUPAC3-amino-6-(3-methoxyphenyl)-N-phenylpyrazine-2-carboxamide
SMILESCOc1cccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)c1
InChIInChI=1S/C18H16N4O2/c1-24-14-9-5-6-12(10-14)15-11-20-17(19)16(22-15)18(23)21-13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20)(H,21,23)
InChIKeyALPBBUPCYNBASR-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.99
Rot. Bonds4

About 3-amino-6-(3-methoxyphenyl)-N-phenylpyrazine-2-carboxamide

3-amino-6-(3-methoxyphenyl)-N-phenylpyrazine-2-carboxamide (PubChem CID 52937360) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-amino-6-(3-methoxyphenyl)-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(3-methoxyphenyl)-N-phenylpyrazine-2-carboxamide
PubChem CID52937360
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name3-amino-6-(3-methoxyphenyl)-N-phenylpyrazine-2-carboxamide
SMILESCOc1cccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)c1
InChIInChI=1S/C18H16N4O2/c1-24-14-9-5-6-12(10-14)15-11-20-17(19)16(22-15)18(23)21-13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20)(H,21,23)
InChIKeyALPBBUPCYNBASR-UHFFFAOYSA-N
XLogP2.99
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(2-hydroxyethyl)-6-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 121004737
3-amino-6-(3-cyanophenyl)-N-phenylpyrazine-2-carboxamide;molecular hydrogen
CID 157255124
3-amino-6-(2-methoxyphenyl)-N-phenylpyrazine-2-carboxamide
CID 52937257
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-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471661
3-amino-6-[4-(methylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 52937456
6-(3-aminophenyl)-3-methyl-N-phenylpyrazine-2-carboxamide
CID 160820258
3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471893
3-amino-N-(2,5-dimethoxyphenyl)-6-pyridin-3-ylpyrazine-2-carboxamide;molecular hydrogen
CID 159900740
3-amino-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 46673484
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-methoxyphenyl)-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(3-methoxyphenyl)-N-phenylpyrazine-2-carboxamide (CID 52937360) is 3-amino-6-(3-methoxyphenyl)-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(3-methoxyphenyl)-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(3-methoxyphenyl)-N-phenylpyrazine-2-carboxamide is COc1cccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)c1.
What is the InChIKey of 3-amino-6-(3-methoxyphenyl)-N-phenylpyrazine-2-carboxamide?
The InChIKey is ALPBBUPCYNBASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-24-14-9-5-6-12(10-14)15-11-20-17(19)16(22-15)18(23)21-13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20)(H,21,23).
What are the key properties of 3-amino-6-(3-methoxyphenyl)-N-phenylpyrazine-2-carboxamide?
3-amino-6-(3-methoxyphenyl)-N-phenylpyrazine-2-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(3-methoxyphenyl)-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 52937360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).