methyl 3-(4-chlorophenyl)-3-[[3-(pyridine-3-carbonylamino)benzoyl]amino]propanoate

C23H20ClN3O4 — CID 55633058

IUPACmethyl 3-(4-chlorophenyl)-3-[[3-(pyridine-3-carbonylamino)benzoyl]amino]propanoate
SMILESCOC(=O)CC(NC(=O)c1cccc(NC(=O)c2cccnc2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C23H20ClN3O4/c1-31-21(28)13-20(15-7-9-18(24)10-8-15)27-22(29)16-4-2-6-19(12-16)26-23(30)17-5-3-11-25-14-17/h2-12,14,20H,13H2,1H3,(H,26,30)(H,27,29)
InChIKeyILNXMWFOGDYYTQ-UHFFFAOYSA-N
MW437.88 g/mol
LogP4.02
Rot. Bonds7

About methyl 3-(4-chlorophenyl)-3-[[3-(pyridine-3-carbonylamino)benzoyl]amino]propanoate

methyl 3-(4-chlorophenyl)-3-[[3-(pyridine-3-carbonylamino)benzoyl]amino]propanoate (PubChem CID 55633058) has the molecular formula C23H20ClN3O4 and a molecular weight of 437.88 g/mol. Its IUPAC name is methyl 3-(4-chlorophenyl)-3-[[3-(pyridine-3-carbonylamino)benzoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-(4-chlorophenyl)-3-[[3-(pyridine-3-carbonylamino)benzoyl]amino]propanoate
PubChem CID55633058
Molecular FormulaC23H20ClN3O4
Molecular Weight437.88 g/mol
Exact Mass437.11
IUPAC Namemethyl 3-(4-chlorophenyl)-3-[[3-(pyridine-3-carbonylamino)benzoyl]amino]propanoate
SMILESCOC(=O)CC(NC(=O)c1cccc(NC(=O)c2cccnc2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C23H20ClN3O4/c1-31-21(28)13-20(15-7-9-18(24)10-8-15)27-22(29)16-4-2-6-19(12-16)26-23(30)17-5-3-11-25-14-17/h2-12,14,20H,13H2,1H3,(H,26,30)(H,27,29)
InChIKeyILNXMWFOGDYYTQ-UHFFFAOYSA-N
XLogP4.02
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.88
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-(4-chlorophenyl)-3-[[3-(pyridine-3-carbonylamino)benzoyl]amino]propanoate 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

methyl 3-(4-chlorophenyl)-3-(pyridine-3-carbonylamino)propanoate
CID 45139943
propan-2-yl 3-(4-methylphenyl)-3-[[3-(pyridine-3-carbonylamino)benzoyl]amino]propanoate
CID 46411380
methyl (3R)-3-(4-chlorophenyl)-3-(pyrazine-2-carbonylamino)propanoate
CID 27700837
methyl 3-(4-chlorophenyl)-3-[[3-[2-(dimethylamino)-2-oxoethoxy]benzoyl]amino]propanoate
CID 55775972
methyl (3R)-3-(4-chlorophenyl)-3-[(1-methylpyrazole-4-carbonyl)amino]propanoate
CID 38163674
methyl 3-(4-chlorophenyl)-3-[(2-chloroquinoline-6-carbonyl)amino]propanoate
CID 55822876
N-[3-[[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 51940025
(3S)-3-(4-chlorophenyl)-3-[(3-methoxybenzoyl)amino]propanoate
CID 6926091
(3R)-3-(4-chloro-3-fluorophenyl)-3-(pyridine-3-carbonylamino)propanoic acid
CID 97259466
N-[3-(1-aminoethyl)phenyl]pyridine-3-carboxamide
CID 16782541
(4-chloro-2-methylphenyl) 3-(pyridine-3-carbonylamino)benzoate
CID 39995278
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 51162183

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-chlorophenyl)-3-[[3-(pyridine-3-carbonylamino)benzoyl]amino]propanoate?
The IUPAC name of methyl 3-(4-chlorophenyl)-3-[[3-(pyridine-3-carbonylamino)benzoyl]amino]propanoate (CID 55633058) is methyl 3-(4-chlorophenyl)-3-[[3-(pyridine-3-carbonylamino)benzoyl]amino]propanoate.
What is the SMILES notation for methyl 3-(4-chlorophenyl)-3-[[3-(pyridine-3-carbonylamino)benzoyl]amino]propanoate?
The canonical SMILES for methyl 3-(4-chlorophenyl)-3-[[3-(pyridine-3-carbonylamino)benzoyl]amino]propanoate is COC(=O)CC(NC(=O)c1cccc(NC(=O)c2cccnc2)c1)c1ccc(Cl)cc1.
What is the InChIKey of methyl 3-(4-chlorophenyl)-3-[[3-(pyridine-3-carbonylamino)benzoyl]amino]propanoate?
The InChIKey is ILNXMWFOGDYYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O4/c1-31-21(28)13-20(15-7-9-18(24)10-8-15)27-22(29)16-4-2-6-19(12-16)26-23(30)17-5-3-11-25-14-17/h2-12,14,20H,13H2,1H3,(H,26,30)(H,27,29).
What are the key properties of methyl 3-(4-chlorophenyl)-3-[[3-(pyridine-3-carbonylamino)benzoyl]amino]propanoate?
methyl 3-(4-chlorophenyl)-3-[[3-(pyridine-3-carbonylamino)benzoyl]amino]propanoate has a molecular weight of 437.88 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-chlorophenyl)-3-[[3-(pyridine-3-carbonylamino)benzoyl]amino]propanoate is sourced from PubChem (CID 55633058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).