N-[4-[1-(3-aminopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide;N-[5-[1-(3-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[4-[1-(3-fluoropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;2,6-difluoro-N-[4-[1-(3-isocyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;methane

C119H114BrCl2F11N24O5 — CID 161228204

About N-[4-[1-(3-aminopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide;N-[5-[1-(3-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[4-[1-(3-fluoropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;2,6-difluoro-N-[4-[1-(3-isocyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;methane

N-[4-[1-(3-aminopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide;N-[5-[1-(3-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[4-[1-(3-fluoropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;2,6-difluoro-N-[4-[1-(3-isocyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;methane (PubChem CID 161228204) has the molecular formula C119H114BrCl2F11N24O5 and a molecular weight of 2320.17 g/mol. Its IUPAC name is N-[4-[1-(3-aminopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide;N-[5-[1-(3-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[4-[1-(3-fluoropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;2,6-difluoro-N-[4-[1-(3-isocyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;methane.

Molecular Properties

• Compound Name: N-[4-[1-(3-aminopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide;N-[5-[1-(3-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[4-[1-(3-fluoropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;2,6-difluoro-N-[4-[1-(3-isocyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;methane
• PubChem CID: 161228204
• Molecular Formula: C119H114BrCl2F11N24O5
• Molecular Weight: 2320.17 g/mol
• Exact Mass: 2316.78
• IUPAC Name: N-[4-[1-(3-aminopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide;N-[5-[1-(3-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[4-[1-(3-fluoropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;2,6-difluoro-N-[4-[1-(3-isocyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;methane
• SMILES: C.C.C.C.C.CC1=C(c2ccc(NC(=O)c3c(F)cccc3F)cc2)CN(c2nccnc2F)CC1.CC1=C(c2ccc(NC(=O)c3c(F)cccc3F)cc2)CN(c2nccnc2N)CC1.CC1=C(c2cnc(NC(=O)c3c(F)cccc3F)cn2)CN(c2ncc(Cl)cc2Cl)CC1.CC1=C(c2cnc(NC(=O)c3c(F)cccc3F)cn2)CN(c2ncccc2Br)CC1.[C-]#[N+]c1nccnc1N1CCC(C)=C(c2ccc(NC(=O)c3c(F)cccc3F)cc2)C1
• InChI: InChI=1S/C24H19F2N5O.C23H19F3N4O.C23H21F2N5O.C22H18BrF2N5O.C22H17Cl2F2N5O.5CH4/c1-15-10-13-31(23-22(27-2)28-11-12-29-23)14-18(15)16-6-8-17(9-7-16)30-24(32)21-19(25)4-3-5-20(21)26;2*1-14-9-12-30(22-21(26)27-10-11-28-22)13-17(14)15-5-7-16(8-6-15)29-23(31)20-18(24)3-2-4-19(20)25;1-13-7-9-30(21-15(23)4-3-8-26-21)12-14(13)18-10-28-19(11-27-18)29-22(31)20-16(24)5-2-6-17(20)25;1-12-5-6-31(21-15(24)7-13(23)8-29-21)11-14(12)18-9-28-19(10-27-18)30-22(32)20-16(25)3-2-4-17(20)26;;;;;/h3-9,11-12H,10,13-14H2,1H3,(H,30,32);2-8,10-11H,9,12-13H2,1H3,(H,29,31);2-8,10-11H,9,12-13H2,1H3,(H2,26,27)(H,29,31);2-6,8,10-11H,7,9,12H2,1H3,(H,28,29,31);2-4,7-10H,5-6,11H2,1H3,(H,28,30,32);5*1H4
• InChIKey: UYKBUWGEJFHTTI-UHFFFAOYSA-N
• XLogP: 27.77
• TPSA: 346.76 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 20
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2320.17
LogP ≤ 5	27.77
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3-aminopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide;N-[5-[1-(3-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[4-[1-(3-fluoropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;2,6-difluoro-N-[4-[1-(3-isocyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;methane?

The IUPAC name of N-[4-[1-(3-aminopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide;N-[5-[1-(3-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[4-[1-(3-fluoropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;2,6-difluoro-N-[4-[1-(3-isocyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;methane (CID 161228204) is N-[4-[1-(3-aminopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide;N-[5-[1-(3-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[4-[1-(3-fluoropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;2,6-difluoro-N-[4-[1-(3-isocyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;methane.

What is the SMILES notation for N-[4-[1-(3-aminopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide;N-[5-[1-(3-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[4-[1-(3-fluoropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;2,6-difluoro-N-[4-[1-(3-isocyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;methane?

The canonical SMILES for N-[4-[1-(3-aminopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide;N-[5-[1-(3-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[4-[1-(3-fluoropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;2,6-difluoro-N-[4-[1-(3-isocyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;methane is C.C.C.C.C.CC1=C(c2ccc(NC(=O)c3c(F)cccc3F)cc2)CN(c2nccnc2F)CC1.CC1=C(c2ccc(NC(=O)c3c(F)cccc3F)cc2)CN(c2nccnc2N)CC1.CC1=C(c2cnc(NC(=O)c3c(F)cccc3F)cn2)CN(c2ncc(Cl)cc2Cl)CC1.CC1=C(c2cnc(NC(=O)c3c(F)cccc3F)cn2)CN(c2ncccc2Br)CC1.[C-]#[N+]c1nccnc1N1CCC(C)=C(c2ccc(NC(=O)c3c(F)cccc3F)cc2)C1.

What is the InChIKey of N-[4-[1-(3-aminopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide;N-[5-[1-(3-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[4-[1-(3-fluoropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;2,6-difluoro-N-[4-[1-(3-isocyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;methane?

The InChIKey is UYKBUWGEJFHTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N5O.C23H19F3N4O.C23H21F2N5O.C22H18BrF2N5O.C22H17Cl2F2N5O.5CH4/c1-15-10-13-31(23-22(27-2)28-11-12-29-23)14-18(15)16-6-8-17(9-7-16)30-24(32)21-19(25)4-3-5-20(21)26;2*1-14-9-12-30(22-21(26)27-10-11-28-22)13-17(14)15-5-7-16(8-6-15)29-23(31)20-18(24)3-2-4-19(20)25;1-13-7-9-30(21-15(23)4-3-8-26-21)12-14(13)18-10-28-19(11-27-18)29-22(31)20-16(24)5-2-6-17(20)25;1-12-5-6-31(21-15(24)7-13(23)8-29-21)11-14(12)18-9-28-19(10-27-18)30-22(32)20-16(25)3-2-4-17(20)26;;;;;/h3-9,11-12H,10,13-14H2,1H3,(H,30,32);2-8,10-11H,9,12-13H2,1H3,(H,29,31);2-8,10-11H,9,12-13H2,1H3,(H2,26,27)(H,29,31);2-6,8,10-11H,7,9,12H2,1H3,(H,28,29,31);2-4,7-10H,5-6,11H2,1H3,(H,28,30,32);5*1H4.

What are the key properties of N-[4-[1-(3-aminopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide;N-[5-[1-(3-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[4-[1-(3-fluoropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;2,6-difluoro-N-[4-[1-(3-isocyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;methane?

N-[4-[1-(3-aminopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide;N-[5-[1-(3-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[4-[1-(3-fluoropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;2,6-difluoro-N-[4-[1-(3-isocyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;methane has a molecular weight of 2320.17 g/mol, XLogP of 27.77, 20 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[1-(3-aminopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide;N-[5-[1-(3-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[4-[1-(3-fluoropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;2,6-difluoro-N-[4-[1-(3-isocyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;methane is sourced from PubChem (CID 161228204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).