3-[6-[2-[6-[3-(dimethylamino)-2,4-difluorophenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-N,N-dimethylaniline

C29H28F4N4 — CID 59341987

About 3-[6-[2-[6-[3-(dimethylamino)-2,4-difluorophenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-N,N-dimethylaniline

3-[6-[2-[6-[3-(dimethylamino)-2,4-difluorophenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-N,N-dimethylaniline (PubChem CID 59341987) has the molecular formula C29H28F4N4 and a molecular weight of 508.56 g/mol. Its IUPAC name is 3-[6-[2-[6-[3-(dimethylamino)-2,4-difluorophenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-N,N-dimethylaniline.

Molecular Properties

• Compound Name: 3-[6-[2-[6-[3-(dimethylamino)-2,4-difluorophenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-N,N-dimethylaniline
• PubChem CID: 59341987
• Molecular Formula: C29H28F4N4
• Molecular Weight: 508.56 g/mol
• Exact Mass: 508.23
• IUPAC Name: 3-[6-[2-[6-[3-(dimethylamino)-2,4-difluorophenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-N,N-dimethylaniline
• SMILES: CN(C)c1c(F)ccc(-c2cccc(C(C)(C)c3cccc(-c4ccc(F)c(N(C)C)c4F)n3)n2)c1F
• InChI: InChI=1S/C29H28F4N4/c1-29(2,23-11-7-9-21(34-23)17-13-15-19(30)27(25(17)32)36(3)4)24-12-8-10-22(35-24)18-14-16-20(31)28(26(18)33)37(5)6/h7-16H,1-6H3
• InChIKey: UJFIOSOGCSVPPH-UHFFFAOYSA-N
• XLogP: 6.82
• TPSA: 32.26 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.56
LogP ≤ 5	6.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-[6-[3-(dimethylamino)-2,4-difluorophenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-N,N-dimethylaniline?

The IUPAC name of 3-[6-[2-[6-[3-(dimethylamino)-2,4-difluorophenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-N,N-dimethylaniline (CID 59341987) is 3-[6-[2-[6-[3-(dimethylamino)-2,4-difluorophenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-N,N-dimethylaniline.

What is the SMILES notation for 3-[6-[2-[6-[3-(dimethylamino)-2,4-difluorophenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-N,N-dimethylaniline?

The canonical SMILES for 3-[6-[2-[6-[3-(dimethylamino)-2,4-difluorophenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-N,N-dimethylaniline is CN(C)c1c(F)ccc(-c2cccc(C(C)(C)c3cccc(-c4ccc(F)c(N(C)C)c4F)n3)n2)c1F.

What is the InChIKey of 3-[6-[2-[6-[3-(dimethylamino)-2,4-difluorophenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-N,N-dimethylaniline?

The InChIKey is UJFIOSOGCSVPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F4N4/c1-29(2,23-11-7-9-21(34-23)17-13-15-19(30)27(25(17)32)36(3)4)24-12-8-10-22(35-24)18-14-16-20(31)28(26(18)33)37(5)6/h7-16H,1-6H3.

What are the key properties of 3-[6-[2-[6-[3-(dimethylamino)-2,4-difluorophenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-N,N-dimethylaniline?

3-[6-[2-[6-[3-(dimethylamino)-2,4-difluorophenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-N,N-dimethylaniline has a molecular weight of 508.56 g/mol, XLogP of 6.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[2-[6-[3-(dimethylamino)-2,4-difluorophenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-N,N-dimethylaniline is sourced from PubChem (CID 59341987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).