4-[1-amino-2-[[2-(2,4-dimethoxyphenyl)acetyl]-methylamino]ethyl]-N-pyridin-4-ylbenzamide

C25H28N4O4 — CID 15983405

IUPAC4-[1-amino-2-[[2-(2,4-dimethoxyphenyl)acetyl]-methylamino]ethyl]-N-pyridin-4-ylbenzamide
SMILESCOc1ccc(CC(=O)N(C)CC(N)c2ccc(C(=O)Nc3ccncc3)cc2)c(OC)c1
InChIInChI=1S/C25H28N4O4/c1-29(24(30)14-19-8-9-21(32-2)15-23(19)33-3)16-22(26)17-4-6-18(7-5-17)25(31)28-20-10-12-27-13-11-20/h4-13,15,22H,14,16,26H2,1-3H3,(H,27,28,31)
InChIKeyPZOZGZQUTDIYCL-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.05
Rot. Bonds9

About 4-[1-amino-2-[[2-(2,4-dimethoxyphenyl)acetyl]-methylamino]ethyl]-N-pyridin-4-ylbenzamide

4-[1-amino-2-[[2-(2,4-dimethoxyphenyl)acetyl]-methylamino]ethyl]-N-pyridin-4-ylbenzamide (PubChem CID 15983405) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 4-[1-amino-2-[[2-(2,4-dimethoxyphenyl)acetyl]-methylamino]ethyl]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-[1-amino-2-[[2-(2,4-dimethoxyphenyl)acetyl]-methylamino]ethyl]-N-pyridin-4-ylbenzamide
PubChem CID15983405
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name4-[1-amino-2-[[2-(2,4-dimethoxyphenyl)acetyl]-methylamino]ethyl]-N-pyridin-4-ylbenzamide
SMILESCOc1ccc(CC(=O)N(C)CC(N)c2ccc(C(=O)Nc3ccncc3)cc2)c(OC)c1
InChIInChI=1S/C25H28N4O4/c1-29(24(30)14-19-8-9-21(32-2)15-23(19)33-3)16-22(26)17-4-6-18(7-5-17)25(31)28-20-10-12-27-13-11-20/h4-13,15,22H,14,16,26H2,1-3H3,(H,27,28,31)
InChIKeyPZOZGZQUTDIYCL-UHFFFAOYSA-N
XLogP3.05
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[1-amino-2-[[2-(2,4-dimethoxyphenyl)acetyl]-methylamino]ethyl]-N-pyridin-4-ylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[1-amino-2-[[2-(2-chloro-4-fluorophenyl)acetyl]-methylamino]ethyl]-N-pyridin-4-ylbenzamide
CID 67537116
4-[1-amino-2-[methyl-[2-(4-methylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67536439
4-[1-amino-2-[methyl-(2-naphthalen-1-ylacetyl)amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67537423
4-[1-amino-2-[methyl-[2-(4-nitrophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67535651
4-[1-amino-2-[(4-methoxyphenyl)carbamoylamino]ethyl]-N-pyridin-4-ylbenzamide
CID 67538548
4-[1-amino-3-(N-ethyl-3,5-dimethoxyanilino)-3-oxopropyl]-N-pyridin-4-ylbenzamide
CID 67537979
4-(1,3-diamino-3-oxopropyl)-N-pyridin-4-ylbenzamide
CID 67536779
4-[1-amino-2-[benzenesulfonyl(methyl)amino]ethyl]-N-pyridin-4-ylbenzamide;dihydrochloride
CID 68668401
2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-propan-2-yl-N-pyridin-4-ylpyridine-3-carboxamide
CID 10574297
4-[1-amino-2-[[1-(4-fluorophenyl)cyclobutanecarbonyl]-methylamino]ethyl]-N-pyridin-4-ylbenzamide
CID 67537213
4-[1-amino-2-[(2-pyridin-4-ylacetyl)amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67536954
4-[1-amino-2-[[1-(4-fluorophenyl)cyclohexanecarbonyl]-methylamino]ethyl]-N-pyridin-4-ylbenzamide
CID 67535749

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-2-[[2-(2,4-dimethoxyphenyl)acetyl]-methylamino]ethyl]-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-[1-amino-2-[[2-(2,4-dimethoxyphenyl)acetyl]-methylamino]ethyl]-N-pyridin-4-ylbenzamide (CID 15983405) is 4-[1-amino-2-[[2-(2,4-dimethoxyphenyl)acetyl]-methylamino]ethyl]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-[1-amino-2-[[2-(2,4-dimethoxyphenyl)acetyl]-methylamino]ethyl]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-[1-amino-2-[[2-(2,4-dimethoxyphenyl)acetyl]-methylamino]ethyl]-N-pyridin-4-ylbenzamide is COc1ccc(CC(=O)N(C)CC(N)c2ccc(C(=O)Nc3ccncc3)cc2)c(OC)c1.
What is the InChIKey of 4-[1-amino-2-[[2-(2,4-dimethoxyphenyl)acetyl]-methylamino]ethyl]-N-pyridin-4-ylbenzamide?
The InChIKey is PZOZGZQUTDIYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-29(24(30)14-19-8-9-21(32-2)15-23(19)33-3)16-22(26)17-4-6-18(7-5-17)25(31)28-20-10-12-27-13-11-20/h4-13,15,22H,14,16,26H2,1-3H3,(H,27,28,31).
What are the key properties of 4-[1-amino-2-[[2-(2,4-dimethoxyphenyl)acetyl]-methylamino]ethyl]-N-pyridin-4-ylbenzamide?
4-[1-amino-2-[[2-(2,4-dimethoxyphenyl)acetyl]-methylamino]ethyl]-N-pyridin-4-ylbenzamide has a molecular weight of 448.52 g/mol, XLogP of 3.05, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-2-[[2-(2,4-dimethoxyphenyl)acetyl]-methylamino]ethyl]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 15983405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).