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

C53H52F4N10O5 — CID 159170542

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

3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(4-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;(4-fluoro-2-methoxyphenyl)methanamine;methane (PubChem CID 159170542) has the molecular formula C53H52F4N10O5 and a molecular weight of 985.06 g/mol. Its IUPAC name is 3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(4-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;(4-fluoro-2-methoxyphenyl)methanamine;methane.

Molecular Properties

• Compound Name: 3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(4-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;(4-fluoro-2-methoxyphenyl)methanamine;methane
• PubChem CID: 159170542
• Molecular Formula: C53H52F4N10O5
• Molecular Weight: 985.06 g/mol
• Exact Mass: 984.41
• IUPAC Name: 3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(4-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;(4-fluoro-2-methoxyphenyl)methanamine;methane
• SMILES: C.COc1cc(F)ccc1CN.COc1cc(F)ccc1CNC(=O)c1nc(-c2cc(C)nc(C)c2)c(-c2ccc(F)cc2)nc1N.Cc1cc(-c2nc(C(=O)O)c(N)nc2-c2ccc(F)cc2)cc(C)n1
• InChI: InChI=1S/C26H23F2N5O2.C18H15FN4O2.C8H10FNO.CH4/c1-14-10-18(11-15(2)31-14)23-22(16-4-7-19(27)8-5-16)33-25(29)24(32-23)26(34)30-13-17-6-9-20(28)12-21(17)35-3;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;1-11-8-4-7(9)3-2-6(8)5-10;/h4-12H,13H2,1-3H3,(H2,29,33)(H,30,34);3-8H,1-2H3,(H2,20,23)(H,24,25);2-4H,5,10H2,1H3;1H4
• InChIKey: KLQBJHPOJUUEEB-UHFFFAOYSA-N
• XLogP: 9.79
• TPSA: 240.26 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	985.06
LogP ≤ 5	9.79
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

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

The IUPAC name of 3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(4-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;(4-fluoro-2-methoxyphenyl)methanamine;methane (CID 159170542) is 3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(4-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;(4-fluoro-2-methoxyphenyl)methanamine;methane.

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

The canonical SMILES for 3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(4-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;(4-fluoro-2-methoxyphenyl)methanamine;methane is C.COc1cc(F)ccc1CN.COc1cc(F)ccc1CNC(=O)c1nc(-c2cc(C)nc(C)c2)c(-c2ccc(F)cc2)nc1N.Cc1cc(-c2nc(C(=O)O)c(N)nc2-c2ccc(F)cc2)cc(C)n1.

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

The InChIKey is KLQBJHPOJUUEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N5O2.C18H15FN4O2.C8H10FNO.CH4/c1-14-10-18(11-15(2)31-14)23-22(16-4-7-19(27)8-5-16)33-25(29)24(32-23)26(34)30-13-17-6-9-20(28)12-21(17)35-3;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;1-11-8-4-7(9)3-2-6(8)5-10;/h4-12H,13H2,1-3H3,(H2,29,33)(H,30,34);3-8H,1-2H3,(H2,20,23)(H,24,25);2-4H,5,10H2,1H3;1H4.

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

3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(4-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;(4-fluoro-2-methoxyphenyl)methanamine;methane has a molecular weight of 985.06 g/mol, XLogP of 9.79, 11 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(4-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;(4-fluoro-2-methoxyphenyl)methanamine;methane is sourced from PubChem (CID 159170542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).