3-amino-N-phenyl-6-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide;6-[4-(methanesulfonamido)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-[5-methyl-6-(phenylcarbamoyl)pyrazin-2-yl]benzoic acid;4-[5-methyl-6-(phenylcarbamoyl)pyrazin-2-yl]benzoic acid;molecular hydrogen

C75H81F3N14O10S — CID 159844548

About 3-amino-N-phenyl-6-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide;6-[4-(methanesulfonamido)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-[5-methyl-6-(phenylcarbamoyl)pyrazin-2-yl]benzoic acid;4-[5-methyl-6-(phenylcarbamoyl)pyrazin-2-yl]benzoic acid;molecular hydrogen

3-amino-N-phenyl-6-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide;6-[4-(methanesulfonamido)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-[5-methyl-6-(phenylcarbamoyl)pyrazin-2-yl]benzoic acid;4-[5-methyl-6-(phenylcarbamoyl)pyrazin-2-yl]benzoic acid;molecular hydrogen (PubChem CID 159844548) has the molecular formula C75H81F3N14O10S and a molecular weight of 1427.62 g/mol. Its IUPAC name is 3-amino-N-phenyl-6-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide;6-[4-(methanesulfonamido)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-[5-methyl-6-(phenylcarbamoyl)pyrazin-2-yl]benzoic acid;4-[5-methyl-6-(phenylcarbamoyl)pyrazin-2-yl]benzoic acid;molecular hydrogen.

Molecular Properties

• Compound Name: 3-amino-N-phenyl-6-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide;6-[4-(methanesulfonamido)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-[5-methyl-6-(phenylcarbamoyl)pyrazin-2-yl]benzoic acid;4-[5-methyl-6-(phenylcarbamoyl)pyrazin-2-yl]benzoic acid;molecular hydrogen
• PubChem CID: 159844548
• Molecular Formula: C75H81F3N14O10S
• Molecular Weight: 1427.62 g/mol
• Exact Mass: 1426.59
• IUPAC Name: 3-amino-N-phenyl-6-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide;6-[4-(methanesulfonamido)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-[5-methyl-6-(phenylcarbamoyl)pyrazin-2-yl]benzoic acid;4-[5-methyl-6-(phenylcarbamoyl)pyrazin-2-yl]benzoic acid;molecular hydrogen
• SMILES: Cc1ncc(-c2ccc(C(=O)O)cc2)nc1C(=O)Nc1ccccc1.Cc1ncc(-c2ccc(NS(C)(=O)=O)cc2)nc1C(=O)Nc1ccccc1.Cc1ncc(-c2cccc(C(=O)O)c2)nc1C(=O)Nc1ccccc1.Nc1ncc(-c2ccccc2C(F)(F)F)nc1C(=O)Nc1ccccc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C19H18N4O3S.2C19H15N3O3.C18H13F3N4O.10H2/c1-13-18(19(24)21-15-6-4-3-5-7-15)22-17(12-20-13)14-8-10-16(11-9-14)23-27(2,25)26;1-12-17(18(23)21-15-8-3-2-4-9-15)22-16(11-20-12)13-6-5-7-14(10-13)19(24)25;1-12-17(18(23)21-15-5-3-2-4-6-15)22-16(11-20-12)13-7-9-14(10-8-13)19(24)25;19-18(20,21)13-9-5-4-8-12(13)14-10-23-16(22)15(25-14)17(26)24-11-6-2-1-3-7-11;;;;;;;;;;/h3-12,23H,1-2H3,(H,21,24);2*2-11H,1H3,(H,21,23)(H,24,25);1-10H,(H2,22,23)(H,24,26);10*1H
• InChIKey: NPCYLQDENKSBKA-UHFFFAOYSA-N
• XLogP: 16.34
• TPSA: 366.31 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 17
• Rotatable Bonds: 16
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1427.62
LogP ≤ 5	16.34
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-phenyl-6-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide;6-[4-(methanesulfonamido)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-[5-methyl-6-(phenylcarbamoyl)pyrazin-2-yl]benzoic acid;4-[5-methyl-6-(phenylcarbamoyl)pyrazin-2-yl]benzoic acid;molecular hydrogen?

The IUPAC name of 3-amino-N-phenyl-6-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide;6-[4-(methanesulfonamido)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-[5-methyl-6-(phenylcarbamoyl)pyrazin-2-yl]benzoic acid;4-[5-methyl-6-(phenylcarbamoyl)pyrazin-2-yl]benzoic acid;molecular hydrogen (CID 159844548) is 3-amino-N-phenyl-6-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide;6-[4-(methanesulfonamido)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-[5-methyl-6-(phenylcarbamoyl)pyrazin-2-yl]benzoic acid;4-[5-methyl-6-(phenylcarbamoyl)pyrazin-2-yl]benzoic acid;molecular hydrogen.

What is the SMILES notation for 3-amino-N-phenyl-6-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide;6-[4-(methanesulfonamido)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-[5-methyl-6-(phenylcarbamoyl)pyrazin-2-yl]benzoic acid;4-[5-methyl-6-(phenylcarbamoyl)pyrazin-2-yl]benzoic acid;molecular hydrogen?

The canonical SMILES for 3-amino-N-phenyl-6-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide;6-[4-(methanesulfonamido)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-[5-methyl-6-(phenylcarbamoyl)pyrazin-2-yl]benzoic acid;4-[5-methyl-6-(phenylcarbamoyl)pyrazin-2-yl]benzoic acid;molecular hydrogen is Cc1ncc(-c2ccc(C(=O)O)cc2)nc1C(=O)Nc1ccccc1.Cc1ncc(-c2ccc(NS(C)(=O)=O)cc2)nc1C(=O)Nc1ccccc1.Cc1ncc(-c2cccc(C(=O)O)c2)nc1C(=O)Nc1ccccc1.Nc1ncc(-c2ccccc2C(F)(F)F)nc1C(=O)Nc1ccccc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 3-amino-N-phenyl-6-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide;6-[4-(methanesulfonamido)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-[5-methyl-6-(phenylcarbamoyl)pyrazin-2-yl]benzoic acid;4-[5-methyl-6-(phenylcarbamoyl)pyrazin-2-yl]benzoic acid;molecular hydrogen?

The InChIKey is NPCYLQDENKSBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S.2C19H15N3O3.C18H13F3N4O.10H2/c1-13-18(19(24)21-15-6-4-3-5-7-15)22-17(12-20-13)14-8-10-16(11-9-14)23-27(2,25)26;1-12-17(18(23)21-15-8-3-2-4-9-15)22-16(11-20-12)13-6-5-7-14(10-13)19(24)25;1-12-17(18(23)21-15-5-3-2-4-6-15)22-16(11-20-12)13-7-9-14(10-8-13)19(24)25;19-18(20,21)13-9-5-4-8-12(13)14-10-23-16(22)15(25-14)17(26)24-11-6-2-1-3-7-11;;;;;;;;;;/h3-12,23H,1-2H3,(H,21,24);2*2-11H,1H3,(H,21,23)(H,24,25);1-10H,(H2,22,23)(H,24,26);10*1H.

What are the key properties of 3-amino-N-phenyl-6-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide;6-[4-(methanesulfonamido)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-[5-methyl-6-(phenylcarbamoyl)pyrazin-2-yl]benzoic acid;4-[5-methyl-6-(phenylcarbamoyl)pyrazin-2-yl]benzoic acid;molecular hydrogen?

3-amino-N-phenyl-6-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide;6-[4-(methanesulfonamido)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-[5-methyl-6-(phenylcarbamoyl)pyrazin-2-yl]benzoic acid;4-[5-methyl-6-(phenylcarbamoyl)pyrazin-2-yl]benzoic acid;molecular hydrogen has a molecular weight of 1427.62 g/mol, XLogP of 16.34, 16 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-phenyl-6-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide;6-[4-(methanesulfonamido)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-[5-methyl-6-(phenylcarbamoyl)pyrazin-2-yl]benzoic acid;4-[5-methyl-6-(phenylcarbamoyl)pyrazin-2-yl]benzoic acid;molecular hydrogen is sourced from PubChem (CID 159844548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).