3-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-methoxyphenyl)propanamide

C18H21N3O3 — CID 113120467

IUPAC3-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCN(Cc2cccnc2)C(C)=O)c1
InChIInChI=1S/C18H21N3O3/c1-14(22)21(13-15-5-4-9-19-12-15)10-8-18(23)20-16-6-3-7-17(11-16)24-2/h3-7,9,11-12H,8,10,13H2,1-2H3,(H,20,23)
InChIKeyDMWCSNBBYLPMHW-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.47
Rot. Bonds7

About 3-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-methoxyphenyl)propanamide

3-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-methoxyphenyl)propanamide (PubChem CID 113120467) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-methoxyphenyl)propanamide
PubChem CID113120467
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name3-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCN(Cc2cccnc2)C(C)=O)c1
InChIInChI=1S/C18H21N3O3/c1-14(22)21(13-15-5-4-9-19-12-15)10-8-18(23)20-16-6-3-7-17(11-16)24-2/h3-7,9,11-12H,8,10,13H2,1-2H3,(H,20,23)
InChIKeyDMWCSNBBYLPMHW-UHFFFAOYSA-N
XLogP2.47
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-methoxyphenyl)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-3-ylmethyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113120459
3-[acetyl(pyridin-3-ylmethyl)amino]-N-[4-(dimethylamino)phenyl]propanamide
CID 113120489
N-(3-methoxyphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151684
3-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)propanamide
CID 113122930
2-[acetyl(benzyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113161287
3-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 113120522
3-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-methylphenyl)propanamide
CID 113120428
3-(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)thiourea
CID 3533373
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)propanamide
CID 113121299
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113119982
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-methylphenyl)propanamide
CID 113118627
3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide
CID 113120669

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-methoxyphenyl)propanamide?
The IUPAC name of 3-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-methoxyphenyl)propanamide (CID 113120467) is 3-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for 3-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)CCN(Cc2cccnc2)C(C)=O)c1.
What is the InChIKey of 3-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-methoxyphenyl)propanamide?
The InChIKey is DMWCSNBBYLPMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-14(22)21(13-15-5-4-9-19-12-15)10-8-18(23)20-16-6-3-7-17(11-16)24-2/h3-7,9,11-12H,8,10,13H2,1-2H3,(H,20,23).
What are the key properties of 3-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-methoxyphenyl)propanamide?
3-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-methoxyphenyl)propanamide has a molecular weight of 327.38 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 113120467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).