methyl 4-[[5-(2-phenylethylamino)pyridine-2-carbonyl]amino]benzoate

C22H21N3O3 — CID 109191932

IUPACmethyl 4-[[5-(2-phenylethylamino)pyridine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(NCCc3ccccc3)cn2)cc1
InChIInChI=1S/C22H21N3O3/c1-28-22(27)17-7-9-18(10-8-17)25-21(26)20-12-11-19(15-24-20)23-14-13-16-5-3-2-4-6-16/h2-12,15,23H,13-14H2,1H3,(H,25,26)
InChIKeyLWJOHXCKCIVUDX-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.78
Rot. Bonds7

About methyl 4-[[5-(2-phenylethylamino)pyridine-2-carbonyl]amino]benzoate

methyl 4-[[5-(2-phenylethylamino)pyridine-2-carbonyl]amino]benzoate (PubChem CID 109191932) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is methyl 4-[[5-(2-phenylethylamino)pyridine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-(2-phenylethylamino)pyridine-2-carbonyl]amino]benzoate
PubChem CID109191932
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Namemethyl 4-[[5-(2-phenylethylamino)pyridine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(NCCc3ccccc3)cn2)cc1
InChIInChI=1S/C22H21N3O3/c1-28-22(27)17-7-9-18(10-8-17)25-21(26)20-12-11-19(15-24-20)23-14-13-16-5-3-2-4-6-16/h2-12,15,23H,13-14H2,1H3,(H,25,26)
InChIKeyLWJOHXCKCIVUDX-UHFFFAOYSA-N
XLogP3.78
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[5-(2-phenylethylamino)pyridine-2-carbonyl]amino]benzoate 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 4-(2-phenylethylamino)benzoate
CID 43217242
5-[2-(4-fluorophenyl)ethylamino]-N-phenylpyridine-2-carboxamide
CID 109192413
methyl 4-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate
CID 109195883
N-(4-acetamidophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109194935
methyl 4-[[6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carbonyl]amino]benzoate
CID 109122119
5-(2-phenylethylamino)-N-propylpyridine-2-carboxamide
CID 109179079
methyl 4-[[5-[(4-methylphenyl)methylamino]pyridine-2-carbonyl]amino]benzoate
CID 109188819
N-[(2-methoxyphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109190160
methyl 4-[[5-(3-phenylpropylamino)pyridine-3-carbonyl]amino]benzoate
CID 109239144
N-(3-bromophenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191938
N-(4-fluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283961
methyl 4-[[6-[(4-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109198978

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-(2-phenylethylamino)pyridine-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[5-(2-phenylethylamino)pyridine-2-carbonyl]amino]benzoate (CID 109191932) is methyl 4-[[5-(2-phenylethylamino)pyridine-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[5-(2-phenylethylamino)pyridine-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[5-(2-phenylethylamino)pyridine-2-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2ccc(NCCc3ccccc3)cn2)cc1.
What is the InChIKey of methyl 4-[[5-(2-phenylethylamino)pyridine-2-carbonyl]amino]benzoate?
The InChIKey is LWJOHXCKCIVUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-28-22(27)17-7-9-18(10-8-17)25-21(26)20-12-11-19(15-24-20)23-14-13-16-5-3-2-4-6-16/h2-12,15,23H,13-14H2,1H3,(H,25,26).
What are the key properties of methyl 4-[[5-(2-phenylethylamino)pyridine-2-carbonyl]amino]benzoate?
methyl 4-[[5-(2-phenylethylamino)pyridine-2-carbonyl]amino]benzoate has a molecular weight of 375.43 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-(2-phenylethylamino)pyridine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109191932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).