N-[5-(1-benzyl-4-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;3-bromo-4-propan-2-ylpyridine;N-(5-bromopyrazin-2-yl)-2,6-difluorobenzamide;2,6-difluoro-N-[5-(4-propan-2-yl-3-pyridinyl)pyrazin-2-yl]benzamide

C64H58Br2F6N12O3 — CID 158070979

About N-[5-(1-benzyl-4-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;3-bromo-4-propan-2-ylpyridine;N-(5-bromopyrazin-2-yl)-2,6-difluorobenzamide;2,6-difluoro-N-[5-(4-propan-2-yl-3-pyridinyl)pyrazin-2-yl]benzamide

N-[5-(1-benzyl-4-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;3-bromo-4-propan-2-ylpyridine;N-(5-bromopyrazin-2-yl)-2,6-difluorobenzamide;2,6-difluoro-N-[5-(4-propan-2-yl-3-pyridinyl)pyrazin-2-yl]benzamide (PubChem CID 158070979) has the molecular formula C64H58Br2F6N12O3 and a molecular weight of 1317.04 g/mol. Its IUPAC name is N-[5-(1-benzyl-4-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;3-bromo-4-propan-2-ylpyridine;N-(5-bromopyrazin-2-yl)-2,6-difluorobenzamide;2,6-difluoro-N-[5-(4-propan-2-yl-3-pyridinyl)pyrazin-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[5-(1-benzyl-4-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;3-bromo-4-propan-2-ylpyridine;N-(5-bromopyrazin-2-yl)-2,6-difluorobenzamide;2,6-difluoro-N-[5-(4-propan-2-yl-3-pyridinyl)pyrazin-2-yl]benzamide
• PubChem CID: 158070979
• Molecular Formula: C64H58Br2F6N12O3
• Molecular Weight: 1317.04 g/mol
• Exact Mass: 1314.30
• IUPAC Name: N-[5-(1-benzyl-4-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;3-bromo-4-propan-2-ylpyridine;N-(5-bromopyrazin-2-yl)-2,6-difluorobenzamide;2,6-difluoro-N-[5-(4-propan-2-yl-3-pyridinyl)pyrazin-2-yl]benzamide
• SMILES: CC(C)C1=C(c2cnc(NC(=O)c3c(F)cccc3F)cn2)CN(Cc2ccccc2)CC1.CC(C)c1ccncc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1.CC(C)c1ccncc1Br.O=C(Nc1cnc(Br)cn1)c1c(F)cccc1F
• InChI: InChI=1S/C26H26F2N4O.C19H16F2N4O.C11H6BrF2N3O.C8H10BrN/c1-17(2)19-11-12-32(15-18-7-4-3-5-8-18)16-20(19)23-13-30-24(14-29-23)31-26(33)25-21(27)9-6-10-22(25)28;1-11(2)12-6-7-22-8-13(12)16-9-24-17(10-23-16)25-19(26)18-14(20)4-3-5-15(18)21;12-8-4-16-9(5-15-8)17-11(18)10-6(13)2-1-3-7(10)14;1-6(2)7-3-4-10-5-8(7)9/h3-10,13-14,17H,11-12,15-16H2,1-2H3,(H,30,31,33);3-11H,1-2H3,(H,24,25,26);1-5H,(H,16,17,18);3-6H,1-2H3
• InChIKey: FLUVUIVQDABGCL-UHFFFAOYSA-N
• XLogP: 15.25
• TPSA: 193.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1317.04
LogP ≤ 5	15.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-benzyl-4-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;3-bromo-4-propan-2-ylpyridine;N-(5-bromopyrazin-2-yl)-2,6-difluorobenzamide;2,6-difluoro-N-[5-(4-propan-2-yl-3-pyridinyl)pyrazin-2-yl]benzamide?

The IUPAC name of N-[5-(1-benzyl-4-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;3-bromo-4-propan-2-ylpyridine;N-(5-bromopyrazin-2-yl)-2,6-difluorobenzamide;2,6-difluoro-N-[5-(4-propan-2-yl-3-pyridinyl)pyrazin-2-yl]benzamide (CID 158070979) is N-[5-(1-benzyl-4-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;3-bromo-4-propan-2-ylpyridine;N-(5-bromopyrazin-2-yl)-2,6-difluorobenzamide;2,6-difluoro-N-[5-(4-propan-2-yl-3-pyridinyl)pyrazin-2-yl]benzamide.

What is the SMILES notation for N-[5-(1-benzyl-4-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;3-bromo-4-propan-2-ylpyridine;N-(5-bromopyrazin-2-yl)-2,6-difluorobenzamide;2,6-difluoro-N-[5-(4-propan-2-yl-3-pyridinyl)pyrazin-2-yl]benzamide?

The canonical SMILES for N-[5-(1-benzyl-4-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;3-bromo-4-propan-2-ylpyridine;N-(5-bromopyrazin-2-yl)-2,6-difluorobenzamide;2,6-difluoro-N-[5-(4-propan-2-yl-3-pyridinyl)pyrazin-2-yl]benzamide is CC(C)C1=C(c2cnc(NC(=O)c3c(F)cccc3F)cn2)CN(Cc2ccccc2)CC1.CC(C)c1ccncc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1.CC(C)c1ccncc1Br.O=C(Nc1cnc(Br)cn1)c1c(F)cccc1F.

What is the InChIKey of N-[5-(1-benzyl-4-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;3-bromo-4-propan-2-ylpyridine;N-(5-bromopyrazin-2-yl)-2,6-difluorobenzamide;2,6-difluoro-N-[5-(4-propan-2-yl-3-pyridinyl)pyrazin-2-yl]benzamide?

The InChIKey is FLUVUIVQDABGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N4O.C19H16F2N4O.C11H6BrF2N3O.C8H10BrN/c1-17(2)19-11-12-32(15-18-7-4-3-5-8-18)16-20(19)23-13-30-24(14-29-23)31-26(33)25-21(27)9-6-10-22(25)28;1-11(2)12-6-7-22-8-13(12)16-9-24-17(10-23-16)25-19(26)18-14(20)4-3-5-15(18)21;12-8-4-16-9(5-15-8)17-11(18)10-6(13)2-1-3-7(10)14;1-6(2)7-3-4-10-5-8(7)9/h3-10,13-14,17H,11-12,15-16H2,1-2H3,(H,30,31,33);3-11H,1-2H3,(H,24,25,26);1-5H,(H,16,17,18);3-6H,1-2H3.

What are the key properties of N-[5-(1-benzyl-4-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;3-bromo-4-propan-2-ylpyridine;N-(5-bromopyrazin-2-yl)-2,6-difluorobenzamide;2,6-difluoro-N-[5-(4-propan-2-yl-3-pyridinyl)pyrazin-2-yl]benzamide?

N-[5-(1-benzyl-4-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;3-bromo-4-propan-2-ylpyridine;N-(5-bromopyrazin-2-yl)-2,6-difluorobenzamide;2,6-difluoro-N-[5-(4-propan-2-yl-3-pyridinyl)pyrazin-2-yl]benzamide has a molecular weight of 1317.04 g/mol, XLogP of 15.25, 13 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(1-benzyl-4-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;3-bromo-4-propan-2-ylpyridine;N-(5-bromopyrazin-2-yl)-2,6-difluorobenzamide;2,6-difluoro-N-[5-(4-propan-2-yl-3-pyridinyl)pyrazin-2-yl]benzamide is sourced from PubChem (CID 158070979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).