3-[acetyl(pyridin-4-ylmethyl)amino]-N-(3-chloro-2-methylphenyl)propanamide

C18H20ClN3O2 — CID 113120650

IUPAC3-[acetyl(pyridin-4-ylmethyl)amino]-N-(3-chloro-2-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(Cl)c1C)Cc1ccncc1
InChIInChI=1S/C18H20ClN3O2/c1-13-16(19)4-3-5-17(13)21-18(24)8-11-22(14(2)23)12-15-6-9-20-10-7-15/h3-7,9-10H,8,11-12H2,1-2H3,(H,21,24)
InChIKeyAQTGVMLESRPZJY-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.42
Rot. Bonds6

About 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(3-chloro-2-methylphenyl)propanamide

3-[acetyl(pyridin-4-ylmethyl)amino]-N-(3-chloro-2-methylphenyl)propanamide (PubChem CID 113120650) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(3-chloro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(pyridin-4-ylmethyl)amino]-N-(3-chloro-2-methylphenyl)propanamide
PubChem CID113120650
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name3-[acetyl(pyridin-4-ylmethyl)amino]-N-(3-chloro-2-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(Cl)c1C)Cc1ccncc1
InChIInChI=1S/C18H20ClN3O2/c1-13-16(19)4-3-5-17(13)21-18(24)8-11-22(14(2)23)12-15-6-9-20-10-7-15/h3-7,9-10H,8,11-12H2,1-2H3,(H,21,24)
InChIKeyAQTGVMLESRPZJY-UHFFFAOYSA-N
XLogP3.42
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(3-chloro-2-methylphenyl)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-4-ylmethyl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 113120713
3-[acetyl(propyl)amino]-N-(3-chloro-2-methylphenyl)propanamide
CID 113115032
N-(3-chloro-2-methylphenyl)-3-pyridin-4-ylpropanamide
CID 110468468
3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-chlorophenyl)propanamide
CID 113120649
3-[acetyl(benzyl)amino]-N-(3-methyl-4-pyridinyl)propanamide
CID 56783118
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N'-(3-chloro-2-methylphenyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947833
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide
CID 113118703
3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 113120639
2-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 113161666
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
3-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-methylphenyl)propanamide
CID 113120428

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(3-chloro-2-methylphenyl)propanamide?
The IUPAC name of 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(3-chloro-2-methylphenyl)propanamide (CID 113120650) is 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(3-chloro-2-methylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(3-chloro-2-methylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(3-chloro-2-methylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1cccc(Cl)c1C)Cc1ccncc1.
What is the InChIKey of 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(3-chloro-2-methylphenyl)propanamide?
The InChIKey is AQTGVMLESRPZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-13-16(19)4-3-5-17(13)21-18(24)8-11-22(14(2)23)12-15-6-9-20-10-7-15/h3-7,9-10H,8,11-12H2,1-2H3,(H,21,24).
What are the key properties of 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(3-chloro-2-methylphenyl)propanamide?
3-[acetyl(pyridin-4-ylmethyl)amino]-N-(3-chloro-2-methylphenyl)propanamide has a molecular weight of 345.83 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(3-chloro-2-methylphenyl)propanamide is sourced from PubChem (CID 113120650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).