methyl 4-[[6-[2-(2-fluorophenyl)ethylcarbamoyl]-3-pyridinyl]amino]benzoate

C22H20FN3O3 — CID 109192216

IUPACmethyl 4-[[6-[2-(2-fluorophenyl)ethylcarbamoyl]-3-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2ccc(C(=O)NCCc3ccccc3F)nc2)cc1
InChIInChI=1S/C22H20FN3O3/c1-29-22(28)16-6-8-17(9-7-16)26-18-10-11-20(25-14-18)21(27)24-13-12-15-4-2-3-5-19(15)23/h2-11,14,26H,12-13H2,1H3,(H,24,27)
InChIKeySPRYFXSKNLQDKB-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.72
Rot. Bonds7

About methyl 4-[[6-[2-(2-fluorophenyl)ethylcarbamoyl]-3-pyridinyl]amino]benzoate

methyl 4-[[6-[2-(2-fluorophenyl)ethylcarbamoyl]-3-pyridinyl]amino]benzoate (PubChem CID 109192216) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is methyl 4-[[6-[2-(2-fluorophenyl)ethylcarbamoyl]-3-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[6-[2-(2-fluorophenyl)ethylcarbamoyl]-3-pyridinyl]amino]benzoate
PubChem CID109192216
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC Namemethyl 4-[[6-[2-(2-fluorophenyl)ethylcarbamoyl]-3-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2ccc(C(=O)NCCc3ccccc3F)nc2)cc1
InChIInChI=1S/C22H20FN3O3/c1-29-22(28)16-6-8-17(9-7-16)26-18-10-11-20(25-14-18)21(27)24-13-12-15-4-2-3-5-19(15)23/h2-11,14,26H,12-13H2,1H3,(H,24,27)
InChIKeySPRYFXSKNLQDKB-UHFFFAOYSA-N
XLogP3.72
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[6-[2-(2-fluorophenyl)ethylcarbamoyl]-3-pyridinyl]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-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109179188
ethyl 4-[[6-[(2-fluorophenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109189443
5-(4-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192510
5-(2,5-dimethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109192183
N-[2-(2-fluorophenyl)ethyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191848
5-(butan-2-ylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109181620
methyl 4-[[6-[(4-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109198978
methyl 2-[[6-[(2-fluorophenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109189433
5-(4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284281
5-(4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109191792
N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109192362
methyl 4-[[5-(4-chloroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109199301

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[6-[2-(2-fluorophenyl)ethylcarbamoyl]-3-pyridinyl]amino]benzoate?
The IUPAC name of methyl 4-[[6-[2-(2-fluorophenyl)ethylcarbamoyl]-3-pyridinyl]amino]benzoate (CID 109192216) is methyl 4-[[6-[2-(2-fluorophenyl)ethylcarbamoyl]-3-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[6-[2-(2-fluorophenyl)ethylcarbamoyl]-3-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 4-[[6-[2-(2-fluorophenyl)ethylcarbamoyl]-3-pyridinyl]amino]benzoate is COC(=O)c1ccc(Nc2ccc(C(=O)NCCc3ccccc3F)nc2)cc1.
What is the InChIKey of methyl 4-[[6-[2-(2-fluorophenyl)ethylcarbamoyl]-3-pyridinyl]amino]benzoate?
The InChIKey is SPRYFXSKNLQDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c1-29-22(28)16-6-8-17(9-7-16)26-18-10-11-20(25-14-18)21(27)24-13-12-15-4-2-3-5-19(15)23/h2-11,14,26H,12-13H2,1H3,(H,24,27).
What are the key properties of methyl 4-[[6-[2-(2-fluorophenyl)ethylcarbamoyl]-3-pyridinyl]amino]benzoate?
methyl 4-[[6-[2-(2-fluorophenyl)ethylcarbamoyl]-3-pyridinyl]amino]benzoate has a molecular weight of 393.42 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[6-[2-(2-fluorophenyl)ethylcarbamoyl]-3-pyridinyl]amino]benzoate is sourced from PubChem (CID 109192216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).