2-[(2,6-dichlorobenzoyl)amino]-3-[4-[(2,4-dimethylpyridine-3-carbonyl)amino]phenyl]propanoic acid

C24H21Cl2N3O4 — CID 18332546

IUPAC2-[(2,6-dichlorobenzoyl)amino]-3-[4-[(2,4-dimethylpyridine-3-carbonyl)amino]phenyl]propanoic acid
SMILESCc1ccnc(C)c1C(=O)Nc1ccc(CC(NC(=O)c2c(Cl)cccc2Cl)C(=O)O)cc1
InChIInChI=1S/C24H21Cl2N3O4/c1-13-10-11-27-14(2)20(13)22(30)28-16-8-6-15(7-9-16)12-19(24(32)33)29-23(31)21-17(25)4-3-5-18(21)26/h3-11,19H,12H2,1-2H3,(H,28,30)(H,29,31)(H,32,33)
InChIKeyDZBMJEIUKSQLFY-UHFFFAOYSA-N
MW486.36 g/mol
LogP4.68
Rot. Bonds7

About 2-[(2,6-dichlorobenzoyl)amino]-3-[4-[(2,4-dimethylpyridine-3-carbonyl)amino]phenyl]propanoic acid

2-[(2,6-dichlorobenzoyl)amino]-3-[4-[(2,4-dimethylpyridine-3-carbonyl)amino]phenyl]propanoic acid (PubChem CID 18332546) has the molecular formula C24H21Cl2N3O4 and a molecular weight of 486.36 g/mol. Its IUPAC name is 2-[(2,6-dichlorobenzoyl)amino]-3-[4-[(2,4-dimethylpyridine-3-carbonyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name2-[(2,6-dichlorobenzoyl)amino]-3-[4-[(2,4-dimethylpyridine-3-carbonyl)amino]phenyl]propanoic acid
PubChem CID18332546
Molecular FormulaC24H21Cl2N3O4
Molecular Weight486.36 g/mol
Exact Mass485.09
IUPAC Name2-[(2,6-dichlorobenzoyl)amino]-3-[4-[(2,4-dimethylpyridine-3-carbonyl)amino]phenyl]propanoic acid
SMILESCc1ccnc(C)c1C(=O)Nc1ccc(CC(NC(=O)c2c(Cl)cccc2Cl)C(=O)O)cc1
InChIInChI=1S/C24H21Cl2N3O4/c1-13-10-11-27-14(2)20(13)22(30)28-16-8-6-15(7-9-16)12-19(24(32)33)29-23(31)21-17(25)4-3-5-18(21)26/h3-11,19H,12H2,1-2H3,(H,28,30)(H,29,31)(H,32,33)
InChIKeyDZBMJEIUKSQLFY-UHFFFAOYSA-N
XLogP4.68
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.36
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(2,6-dichlorobenzoyl)amino]-3-[4-[(2,4-dimethylpyridine-3-carbonyl)amino]phenyl]propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorobenzoyl)amino]-3-[4-[(2,4-dimethylpyridine-3-carbonyl)amino]phenyl]propanoic acid?
The IUPAC name of 2-[(2,6-dichlorobenzoyl)amino]-3-[4-[(2,4-dimethylpyridine-3-carbonyl)amino]phenyl]propanoic acid (CID 18332546) is 2-[(2,6-dichlorobenzoyl)amino]-3-[4-[(2,4-dimethylpyridine-3-carbonyl)amino]phenyl]propanoic acid.
What is the SMILES notation for 2-[(2,6-dichlorobenzoyl)amino]-3-[4-[(2,4-dimethylpyridine-3-carbonyl)amino]phenyl]propanoic acid?
The canonical SMILES for 2-[(2,6-dichlorobenzoyl)amino]-3-[4-[(2,4-dimethylpyridine-3-carbonyl)amino]phenyl]propanoic acid is Cc1ccnc(C)c1C(=O)Nc1ccc(CC(NC(=O)c2c(Cl)cccc2Cl)C(=O)O)cc1.
What is the InChIKey of 2-[(2,6-dichlorobenzoyl)amino]-3-[4-[(2,4-dimethylpyridine-3-carbonyl)amino]phenyl]propanoic acid?
The InChIKey is DZBMJEIUKSQLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N3O4/c1-13-10-11-27-14(2)20(13)22(30)28-16-8-6-15(7-9-16)12-19(24(32)33)29-23(31)21-17(25)4-3-5-18(21)26/h3-11,19H,12H2,1-2H3,(H,28,30)(H,29,31)(H,32,33).
What are the key properties of 2-[(2,6-dichlorobenzoyl)amino]-3-[4-[(2,4-dimethylpyridine-3-carbonyl)amino]phenyl]propanoic acid?
2-[(2,6-dichlorobenzoyl)amino]-3-[4-[(2,4-dimethylpyridine-3-carbonyl)amino]phenyl]propanoic acid has a molecular weight of 486.36 g/mol, XLogP of 4.68, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorobenzoyl)amino]-3-[4-[(2,4-dimethylpyridine-3-carbonyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 18332546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).