methyl (3R)-4-[4-[(4-hydroxybenzoyl)amino]phenyl]-3-(pyridine-3-carbonylamino)butanoate

C24H23N3O5 — CID 16751778

IUPACmethyl (3R)-4-[4-[(4-hydroxybenzoyl)amino]phenyl]-3-(pyridine-3-carbonylamino)butanoate
SMILESCOC(=O)C[C@@H](Cc1ccc(NC(=O)c2ccc(O)cc2)cc1)NC(=O)c1cccnc1
InChIInChI=1S/C24H23N3O5/c1-32-22(29)14-20(27-24(31)18-3-2-12-25-15-18)13-16-4-8-19(9-5-16)26-23(30)17-6-10-21(28)11-7-17/h2-12,15,20,28H,13-14H2,1H3,(H,26,30)(H,27,31)/t20-/m1/s1
InChIKeyCHRJJHZGTHUJBL-HXUWFJFHSA-N
MW433.46 g/mol
LogP2.94
Rot. Bonds8

About methyl (3R)-4-[4-[(4-hydroxybenzoyl)amino]phenyl]-3-(pyridine-3-carbonylamino)butanoate

methyl (3R)-4-[4-[(4-hydroxybenzoyl)amino]phenyl]-3-(pyridine-3-carbonylamino)butanoate (PubChem CID 16751778) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is methyl (3R)-4-[4-[(4-hydroxybenzoyl)amino]phenyl]-3-(pyridine-3-carbonylamino)butanoate.

Molecular Properties

Compound Namemethyl (3R)-4-[4-[(4-hydroxybenzoyl)amino]phenyl]-3-(pyridine-3-carbonylamino)butanoate
PubChem CID16751778
Molecular FormulaC24H23N3O5
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC Namemethyl (3R)-4-[4-[(4-hydroxybenzoyl)amino]phenyl]-3-(pyridine-3-carbonylamino)butanoate
SMILESCOC(=O)C[C@@H](Cc1ccc(NC(=O)c2ccc(O)cc2)cc1)NC(=O)c1cccnc1
InChIInChI=1S/C24H23N3O5/c1-32-22(29)14-20(27-24(31)18-3-2-12-25-15-18)13-16-4-8-19(9-5-16)26-23(30)17-6-10-21(28)11-7-17/h2-12,15,20,28H,13-14H2,1H3,(H,26,30)(H,27,31)/t20-/m1/s1
InChIKeyCHRJJHZGTHUJBL-HXUWFJFHSA-N
XLogP2.94
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl (3R)-4-[4-[(4-hydroxybenzoyl)amino]phenyl]-3-(pyridine-3-carbonylamino)butanoate 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 methyl (3R)-4-[4-[(4-hydroxybenzoyl)amino]phenyl]-3-(pyridine-3-carbonylamino)butanoate?
The IUPAC name of methyl (3R)-4-[4-[(4-hydroxybenzoyl)amino]phenyl]-3-(pyridine-3-carbonylamino)butanoate (CID 16751778) is methyl (3R)-4-[4-[(4-hydroxybenzoyl)amino]phenyl]-3-(pyridine-3-carbonylamino)butanoate.
What is the SMILES notation for methyl (3R)-4-[4-[(4-hydroxybenzoyl)amino]phenyl]-3-(pyridine-3-carbonylamino)butanoate?
The canonical SMILES for methyl (3R)-4-[4-[(4-hydroxybenzoyl)amino]phenyl]-3-(pyridine-3-carbonylamino)butanoate is COC(=O)C[C@@H](Cc1ccc(NC(=O)c2ccc(O)cc2)cc1)NC(=O)c1cccnc1.
What is the InChIKey of methyl (3R)-4-[4-[(4-hydroxybenzoyl)amino]phenyl]-3-(pyridine-3-carbonylamino)butanoate?
The InChIKey is CHRJJHZGTHUJBL-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H23N3O5/c1-32-22(29)14-20(27-24(31)18-3-2-12-25-15-18)13-16-4-8-19(9-5-16)26-23(30)17-6-10-21(28)11-7-17/h2-12,15,20,28H,13-14H2,1H3,(H,26,30)(H,27,31)/t20-/m1/s1.
What are the key properties of methyl (3R)-4-[4-[(4-hydroxybenzoyl)amino]phenyl]-3-(pyridine-3-carbonylamino)butanoate?
methyl (3R)-4-[4-[(4-hydroxybenzoyl)amino]phenyl]-3-(pyridine-3-carbonylamino)butanoate has a molecular weight of 433.46 g/mol, XLogP of 2.94, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-4-[4-[(4-hydroxybenzoyl)amino]phenyl]-3-(pyridine-3-carbonylamino)butanoate is sourced from PubChem (CID 16751778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).