N-[4-[[7-[1-[4-[(dimethylamino)methyl]-3-(trifluoromethyl)anilino]-2-hydroxypropan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-pyridinyl]acetamide

C30H35F3N4O3 — CID 143482527

About N-[4-[[7-[1-[4-[(dimethylamino)methyl]-3-(trifluoromethyl)anilino]-2-hydroxypropan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-pyridinyl]acetamide

N-[4-[[7-[1-[4-[(dimethylamino)methyl]-3-(trifluoromethyl)anilino]-2-hydroxypropan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-pyridinyl]acetamide (PubChem CID 143482527) has the molecular formula C30H35F3N4O3 and a molecular weight of 556.63 g/mol. Its IUPAC name is N-[4-[[7-[1-[4-[(dimethylamino)methyl]-3-(trifluoromethyl)anilino]-2-hydroxypropan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[[7-[1-[4-[(dimethylamino)methyl]-3-(trifluoromethyl)anilino]-2-hydroxypropan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-pyridinyl]acetamide
• PubChem CID: 143482527
• Molecular Formula: C30H35F3N4O3
• Molecular Weight: 556.63 g/mol
• Exact Mass: 556.27
• IUPAC Name: N-[4-[[7-[1-[4-[(dimethylamino)methyl]-3-(trifluoromethyl)anilino]-2-hydroxypropan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-pyridinyl]acetamide
• SMILES: CC(=O)Nc1cc(Oc2ccc3c(c2)CC(C(C)(O)CNc2ccc(CN(C)C)c(C(F)(F)F)c2)CC3)ccn1
• InChI: InChI=1S/C30H35F3N4O3/c1-19(38)36-28-16-26(11-12-34-28)40-25-10-7-20-5-8-23(13-22(20)14-25)29(2,39)18-35-24-9-6-21(17-37(3)4)27(15-24)30(31,32)33/h6-7,9-12,14-16,23,35,39H,5,8,13,17-18H2,1-4H3,(H,34,36,38)
• InChIKey: DXAZFTHUYRBEBN-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 86.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.63
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[[7-[1-[4-[(dimethylamino)methyl]-3-(trifluoromethyl)anilino]-2-hydroxypropan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-pyridinyl]acetamide?

The IUPAC name of N-[4-[[7-[1-[4-[(dimethylamino)methyl]-3-(trifluoromethyl)anilino]-2-hydroxypropan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-pyridinyl]acetamide (CID 143482527) is N-[4-[[7-[1-[4-[(dimethylamino)methyl]-3-(trifluoromethyl)anilino]-2-hydroxypropan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-pyridinyl]acetamide.

What is the SMILES notation for N-[4-[[7-[1-[4-[(dimethylamino)methyl]-3-(trifluoromethyl)anilino]-2-hydroxypropan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-pyridinyl]acetamide?

The canonical SMILES for N-[4-[[7-[1-[4-[(dimethylamino)methyl]-3-(trifluoromethyl)anilino]-2-hydroxypropan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-pyridinyl]acetamide is CC(=O)Nc1cc(Oc2ccc3c(c2)CC(C(C)(O)CNc2ccc(CN(C)C)c(C(F)(F)F)c2)CC3)ccn1.

What is the InChIKey of N-[4-[[7-[1-[4-[(dimethylamino)methyl]-3-(trifluoromethyl)anilino]-2-hydroxypropan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-pyridinyl]acetamide?

The InChIKey is DXAZFTHUYRBEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35F3N4O3/c1-19(38)36-28-16-26(11-12-34-28)40-25-10-7-20-5-8-23(13-22(20)14-25)29(2,39)18-35-24-9-6-21(17-37(3)4)27(15-24)30(31,32)33/h6-7,9-12,14-16,23,35,39H,5,8,13,17-18H2,1-4H3,(H,34,36,38).

What are the key properties of N-[4-[[7-[1-[4-[(dimethylamino)methyl]-3-(trifluoromethyl)anilino]-2-hydroxypropan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-pyridinyl]acetamide?

N-[4-[[7-[1-[4-[(dimethylamino)methyl]-3-(trifluoromethyl)anilino]-2-hydroxypropan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-pyridinyl]acetamide has a molecular weight of 556.63 g/mol, XLogP of 5.88, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[7-[1-[4-[(dimethylamino)methyl]-3-(trifluoromethyl)anilino]-2-hydroxypropan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-pyridinyl]acetamide is sourced from PubChem (CID 143482527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).