3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,4,5-trimethoxyphenyl)propanamide

C20H25N3O5 — CID 113120316

IUPAC3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CCN(Cc2ccccn2)C(C)=O)cc(OC)c1OC
InChIInChI=1S/C20H25N3O5/c1-14(24)23(13-15-7-5-6-9-21-15)10-8-19(25)22-16-11-17(26-2)20(28-4)18(12-16)27-3/h5-7,9,11-12H,8,10,13H2,1-4H3,(H,22,25)
InChIKeyNQECUZIMYFJIDA-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.48
Rot. Bonds9

About 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,4,5-trimethoxyphenyl)propanamide

3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 113120316) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID113120316
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Name3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CCN(Cc2ccccn2)C(C)=O)cc(OC)c1OC
InChIInChI=1S/C20H25N3O5/c1-14(24)23(13-15-7-5-6-9-21-15)10-8-19(25)22-16-11-17(26-2)20(28-4)18(12-16)27-3/h5-7,9,11-12H,8,10,13H2,1-4H3,(H,22,25)
InChIKeyNQECUZIMYFJIDA-UHFFFAOYSA-N
XLogP2.48
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,4,5-trimethoxyphenyl)propanamide 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

3-[acetyl(pyridin-2-ylmethyl)amino]-N-(2-methoxyphenyl)propanamide
CID 113120272
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,5-dichlorophenyl)propanamide
CID 113120324
N-(3-acetamidophenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide
CID 113120288
N-(4-acetylphenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide
CID 113120287
2-[acetyl(pyridin-2-ylmethyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113163474
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 113120301
3-[acetyl(pyridin-2-ylmethyl)amino]-N-prop-2-enylpropanamide
CID 113120148
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113120193
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide
CID 113119787
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]propanamide
CID 113120171
3-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylpropanamide
CID 113120220
3-(N-acetyl-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 113123896

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,4,5-trimethoxyphenyl)propanamide (CID 113120316) is 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(NC(=O)CCN(Cc2ccccn2)C(C)=O)cc(OC)c1OC.
What is the InChIKey of 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is NQECUZIMYFJIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-14(24)23(13-15-7-5-6-9-21-15)10-8-19(25)22-16-11-17(26-2)20(28-4)18(12-16)27-3/h5-7,9,11-12H,8,10,13H2,1-4H3,(H,22,25).
What are the key properties of 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,4,5-trimethoxyphenyl)propanamide?
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 387.44 g/mol, XLogP of 2.48, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 113120316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).