N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-2-(3-methoxyanilino)acetamide;2,2,2-trifluoroacetic acid

C26H29F3N4O5 — CID 117077076

IUPACN-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-2-(3-methoxyanilino)acetamide;2,2,2-trifluoroacetic acid
SMILESCOc1cccc(NCC(=O)Nc2ccc(-c3ccncc3)cc2OCCN(C)C)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H28N4O3.C2HF3O2/c1-28(2)13-14-31-23-15-19(18-9-11-25-12-10-18)7-8-22(23)27-24(29)17-26-20-5-4-6-21(16-20)30-3;3-2(4,5)1(6)7/h4-12,15-16,26H,13-14,17H2,1-3H3,(H,27,29);(H,6,7)
InChIKeyBSFUVRFOFHLLNR-UHFFFAOYSA-N
MW534.54 g/mol
LogP4.38
Rot. Bonds10

About N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-2-(3-methoxyanilino)acetamide;2,2,2-trifluoroacetic acid

N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-2-(3-methoxyanilino)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 117077076) has the molecular formula C26H29F3N4O5 and a molecular weight of 534.54 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-2-(3-methoxyanilino)acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-2-(3-methoxyanilino)acetamide;2,2,2-trifluoroacetic acid
PubChem CID117077076
Molecular FormulaC26H29F3N4O5
Molecular Weight534.54 g/mol
Exact Mass534.21
IUPAC NameN-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-2-(3-methoxyanilino)acetamide;2,2,2-trifluoroacetic acid
SMILESCOc1cccc(NCC(=O)Nc2ccc(-c3ccncc3)cc2OCCN(C)C)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H28N4O3.C2HF3O2/c1-28(2)13-14-31-23-15-19(18-9-11-25-12-10-18)7-8-22(23)27-24(29)17-26-20-5-4-6-21(16-20)30-3;3-2(4,5)1(6)7/h4-12,15-16,26H,13-14,17H2,1-3H3,(H,27,29);(H,6,7)
InChIKeyBSFUVRFOFHLLNR-UHFFFAOYSA-N
XLogP4.38
TPSA113.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.54
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-2-(3-methoxyanilino)acetamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-2-(3-methoxyanilino)acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-2-(3-methoxyanilino)acetamide;2,2,2-trifluoroacetic acid (CID 117077076) is N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-2-(3-methoxyanilino)acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-2-(3-methoxyanilino)acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-2-(3-methoxyanilino)acetamide;2,2,2-trifluoroacetic acid is COc1cccc(NCC(=O)Nc2ccc(-c3ccncc3)cc2OCCN(C)C)c1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-2-(3-methoxyanilino)acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is BSFUVRFOFHLLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3.C2HF3O2/c1-28(2)13-14-31-23-15-19(18-9-11-25-12-10-18)7-8-22(23)27-24(29)17-26-20-5-4-6-21(16-20)30-3;3-2(4,5)1(6)7/h4-12,15-16,26H,13-14,17H2,1-3H3,(H,27,29);(H,6,7).
What are the key properties of N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-2-(3-methoxyanilino)acetamide;2,2,2-trifluoroacetic acid?
N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-2-(3-methoxyanilino)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 534.54 g/mol, XLogP of 4.38, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-2-(3-methoxyanilino)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 117077076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).