3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;(2-fluorophenyl)methanamine

C50H44F4N10O3 — CID 158395354

About 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;(2-fluorophenyl)methanamine

3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;(2-fluorophenyl)methanamine (PubChem CID 158395354) has the molecular formula C50H44F4N10O3 and a molecular weight of 908.96 g/mol. Its IUPAC name is 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;(2-fluorophenyl)methanamine.

Molecular Properties

• Compound Name: 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;(2-fluorophenyl)methanamine
• PubChem CID: 158395354
• Molecular Formula: C50H44F4N10O3
• Molecular Weight: 908.96 g/mol
• Exact Mass: 908.35
• IUPAC Name: 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;(2-fluorophenyl)methanamine
• SMILES: Cc1cc(-c2nc(C(=O)NCc3ccccc3F)c(N)nc2-c2ccc(F)cc2)cc(C)n1.Cc1cc(-c2nc(C(=O)O)c(N)nc2-c2ccc(F)cc2)cc(C)n1.NCc1ccccc1F
• InChI: InChI=1S/C25H21F2N5O.C18H15FN4O2.C7H8FN/c1-14-11-18(12-15(2)30-14)22-21(16-7-9-19(26)10-8-16)32-24(28)23(31-22)25(33)29-13-17-5-3-4-6-20(17)27;1-9-7-12(8-10(2)21-9)15-14(11-3-5-13(19)6-4-11)23-17(20)16(22-15)18(24)25;8-7-4-2-1-3-6(7)5-9/h3-12H,13H2,1-2H3,(H2,28,32)(H,29,33);3-8H,1-2H3,(H2,20,23)(H,24,25);1-4H,5,9H2
• InChIKey: GXMCOAHGHHFGLU-UHFFFAOYSA-N
• XLogP: 9.14
• TPSA: 221.80 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	908.96
LogP ≤ 5	9.14
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;(2-fluorophenyl)methanamine?

The IUPAC name of 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;(2-fluorophenyl)methanamine (CID 158395354) is 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;(2-fluorophenyl)methanamine.

What is the SMILES notation for 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;(2-fluorophenyl)methanamine?

The canonical SMILES for 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;(2-fluorophenyl)methanamine is Cc1cc(-c2nc(C(=O)NCc3ccccc3F)c(N)nc2-c2ccc(F)cc2)cc(C)n1.Cc1cc(-c2nc(C(=O)O)c(N)nc2-c2ccc(F)cc2)cc(C)n1.NCc1ccccc1F.

What is the InChIKey of 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;(2-fluorophenyl)methanamine?

The InChIKey is GXMCOAHGHHFGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N5O.C18H15FN4O2.C7H8FN/c1-14-11-18(12-15(2)30-14)22-21(16-7-9-19(26)10-8-16)32-24(28)23(31-22)25(33)29-13-17-5-3-4-6-20(17)27;1-9-7-12(8-10(2)21-9)15-14(11-3-5-13(19)6-4-11)23-17(20)16(22-15)18(24)25;8-7-4-2-1-3-6(7)5-9/h3-12H,13H2,1-2H3,(H2,28,32)(H,29,33);3-8H,1-2H3,(H2,20,23)(H,24,25);1-4H,5,9H2.

What are the key properties of 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;(2-fluorophenyl)methanamine?

3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;(2-fluorophenyl)methanamine has a molecular weight of 908.96 g/mol, XLogP of 9.14, 9 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;(2-fluorophenyl)methanamine is sourced from PubChem (CID 158395354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).