4-[1-amino-3-(N-ethyl-3,5-dimethoxyanilino)-3-oxopropyl]-N-pyridin-4-ylbenzamide

C25H28N4O4 — CID 67537979

IUPAC4-[1-amino-3-(N-ethyl-3,5-dimethoxyanilino)-3-oxopropyl]-N-pyridin-4-ylbenzamide
SMILESCCN(C(=O)CC(N)c1ccc(C(=O)Nc2ccncc2)cc1)c1cc(OC)cc(OC)c1
InChIInChI=1S/C25H28N4O4/c1-4-29(20-13-21(32-2)15-22(14-20)33-3)24(30)16-23(26)17-5-7-18(8-6-17)25(31)28-19-9-11-27-12-10-19/h5-15,23H,4,16,26H2,1-3H3,(H,27,28,31)
InChIKeyXUFOIFLBYJDANF-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.79
Rot. Bonds9

About 4-[1-amino-3-(N-ethyl-3,5-dimethoxyanilino)-3-oxopropyl]-N-pyridin-4-ylbenzamide

4-[1-amino-3-(N-ethyl-3,5-dimethoxyanilino)-3-oxopropyl]-N-pyridin-4-ylbenzamide (PubChem CID 67537979) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 4-[1-amino-3-(N-ethyl-3,5-dimethoxyanilino)-3-oxopropyl]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-[1-amino-3-(N-ethyl-3,5-dimethoxyanilino)-3-oxopropyl]-N-pyridin-4-ylbenzamide
PubChem CID67537979
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name4-[1-amino-3-(N-ethyl-3,5-dimethoxyanilino)-3-oxopropyl]-N-pyridin-4-ylbenzamide
SMILESCCN(C(=O)CC(N)c1ccc(C(=O)Nc2ccncc2)cc1)c1cc(OC)cc(OC)c1
InChIInChI=1S/C25H28N4O4/c1-4-29(20-13-21(32-2)15-22(14-20)33-3)24(30)16-23(26)17-5-7-18(8-6-17)25(31)28-19-9-11-27-12-10-19/h5-15,23H,4,16,26H2,1-3H3,(H,27,28,31)
InChIKeyXUFOIFLBYJDANF-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[1-amino-3-(N-ethyl-3,5-dimethoxyanilino)-3-oxopropyl]-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-(1,3-diamino-3-oxopropyl)-N-pyridin-4-ylbenzamide
CID 67536779
4-[1-amino-2-[(4-methoxyphenyl)carbamoylamino]ethyl]-N-pyridin-4-ylbenzamide
CID 67538548
4-[1-amino-2-[[2-(2,4-dimethoxyphenyl)acetyl]-methylamino]ethyl]-N-pyridin-4-ylbenzamide
CID 15983405
4-[1-amino-3-[benzyl(trifluoromethyl)amino]-3-oxopropyl]-N-pyridin-4-ylbenzamide
CID 67536790
4-[1-amino-3-[(4-methylphenyl)methylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide
CID 67536660
4-[1-amino-3-[benzyl(trifluoromethoxy)amino]-3-oxopropyl]-N-pyridin-4-ylbenzamide
CID 87436894
4-ethoxy-N-pyridin-4-ylbenzamide
CID 803153
4-[1-amino-3-(cyclohexylamino)-3-oxopropyl]-N-pyridin-4-ylbenzamide
CID 67538066
4-[1-amino-2-[(2-methylthiophen-3-yl)-propanoylamino]ethyl]-N-pyridin-4-ylbenzamide
CID 91028713
4-[(1S)-1-amino-3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide;dihydrochloride
CID 67536089
4-[1-amino-2-[(2-pyridin-4-ylacetyl)amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67536954
N-[4-(1-aminoethyl)phenyl]-3,5-dimethoxybenzamide
CID 43822825

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-3-(N-ethyl-3,5-dimethoxyanilino)-3-oxopropyl]-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-[1-amino-3-(N-ethyl-3,5-dimethoxyanilino)-3-oxopropyl]-N-pyridin-4-ylbenzamide (CID 67537979) is 4-[1-amino-3-(N-ethyl-3,5-dimethoxyanilino)-3-oxopropyl]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-[1-amino-3-(N-ethyl-3,5-dimethoxyanilino)-3-oxopropyl]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-[1-amino-3-(N-ethyl-3,5-dimethoxyanilino)-3-oxopropyl]-N-pyridin-4-ylbenzamide is CCN(C(=O)CC(N)c1ccc(C(=O)Nc2ccncc2)cc1)c1cc(OC)cc(OC)c1.
What is the InChIKey of 4-[1-amino-3-(N-ethyl-3,5-dimethoxyanilino)-3-oxopropyl]-N-pyridin-4-ylbenzamide?
The InChIKey is XUFOIFLBYJDANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-4-29(20-13-21(32-2)15-22(14-20)33-3)24(30)16-23(26)17-5-7-18(8-6-17)25(31)28-19-9-11-27-12-10-19/h5-15,23H,4,16,26H2,1-3H3,(H,27,28,31).
What are the key properties of 4-[1-amino-3-(N-ethyl-3,5-dimethoxyanilino)-3-oxopropyl]-N-pyridin-4-ylbenzamide?
4-[1-amino-3-(N-ethyl-3,5-dimethoxyanilino)-3-oxopropyl]-N-pyridin-4-ylbenzamide has a molecular weight of 448.52 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-3-(N-ethyl-3,5-dimethoxyanilino)-3-oxopropyl]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 67537979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).