2-[[2-[(3-fluorophenyl)methyl]pyridine-4-carbonyl]-(2-phenylethyl)amino]acetic acid

C23H21FN2O3 — CID 110165390

IUPAC2-[[2-[(3-fluorophenyl)methyl]pyridine-4-carbonyl]-(2-phenylethyl)amino]acetic acid
SMILESO=C(O)CN(CCc1ccccc1)C(=O)c1ccnc(Cc2cccc(F)c2)c1
InChIInChI=1S/C23H21FN2O3/c24-20-8-4-7-18(13-20)14-21-15-19(9-11-25-21)23(29)26(16-22(27)28)12-10-17-5-2-1-3-6-17/h1-9,11,13,15H,10,12,14,16H2,(H,27,28)
InChIKeyADDVFIGSIFPUHB-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.58
Rot. Bonds8

About 2-[[2-[(3-fluorophenyl)methyl]pyridine-4-carbonyl]-(2-phenylethyl)amino]acetic acid

2-[[2-[(3-fluorophenyl)methyl]pyridine-4-carbonyl]-(2-phenylethyl)amino]acetic acid (PubChem CID 110165390) has the molecular formula C23H21FN2O3 and a molecular weight of 392.43 g/mol. Its IUPAC name is 2-[[2-[(3-fluorophenyl)methyl]pyridine-4-carbonyl]-(2-phenylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(3-fluorophenyl)methyl]pyridine-4-carbonyl]-(2-phenylethyl)amino]acetic acid
PubChem CID110165390
Molecular FormulaC23H21FN2O3
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC Name2-[[2-[(3-fluorophenyl)methyl]pyridine-4-carbonyl]-(2-phenylethyl)amino]acetic acid
SMILESO=C(O)CN(CCc1ccccc1)C(=O)c1ccnc(Cc2cccc(F)c2)c1
InChIInChI=1S/C23H21FN2O3/c24-20-8-4-7-18(13-20)14-21-15-19(9-11-25-21)23(29)26(16-22(27)28)12-10-17-5-2-1-3-6-17/h1-9,11,13,15H,10,12,14,16H2,(H,27,28)
InChIKeyADDVFIGSIFPUHB-UHFFFAOYSA-N
XLogP3.58
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chlorobenzoyl)-(2-phenylethyl)amino]acetic acid
CID 99819195
2-[benzyl-(3-fluorobenzoyl)amino]acetic acid
CID 84583368
2-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-(2-phenylethyl)amino]acetic acid
CID 119347441
2-ethoxy-N-[2-(3-fluorophenyl)ethyl]-N-propylpyridine-4-carboxamide
CID 86967829
2-[2-(3-fluorophenyl)ethyl-(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]acetic acid
CID 110165411
4-fluoro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084436
2-[[(2S)-2-benzyl-2-methyl-3H-1-benzofuran-5-carbonyl]-[2-(3-fluorophenyl)ethyl]amino]acetic acid
CID 129457481
2-[2-phenylethyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
CID 100592353
2-chloro-N-ethyl-N-(2-phenylethyl)pyridine-4-carboxamide
CID 60738878
2-[2-phenylethyl-(4-propan-2-ylsulfonylbenzoyl)amino]acetic acid
CID 119347223
2-[[2-(aminomethyl)pyridine-4-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 114326521
2-[(4-ethoxybenzoyl)-(2-phenylethyl)amino]acetic acid
CID 119347170

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3-fluorophenyl)methyl]pyridine-4-carbonyl]-(2-phenylethyl)amino]acetic acid?
The IUPAC name of 2-[[2-[(3-fluorophenyl)methyl]pyridine-4-carbonyl]-(2-phenylethyl)amino]acetic acid (CID 110165390) is 2-[[2-[(3-fluorophenyl)methyl]pyridine-4-carbonyl]-(2-phenylethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-[(3-fluorophenyl)methyl]pyridine-4-carbonyl]-(2-phenylethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-[(3-fluorophenyl)methyl]pyridine-4-carbonyl]-(2-phenylethyl)amino]acetic acid is O=C(O)CN(CCc1ccccc1)C(=O)c1ccnc(Cc2cccc(F)c2)c1.
What is the InChIKey of 2-[[2-[(3-fluorophenyl)methyl]pyridine-4-carbonyl]-(2-phenylethyl)amino]acetic acid?
The InChIKey is ADDVFIGSIFPUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3/c24-20-8-4-7-18(13-20)14-21-15-19(9-11-25-21)23(29)26(16-22(27)28)12-10-17-5-2-1-3-6-17/h1-9,11,13,15H,10,12,14,16H2,(H,27,28).
What are the key properties of 2-[[2-[(3-fluorophenyl)methyl]pyridine-4-carbonyl]-(2-phenylethyl)amino]acetic acid?
2-[[2-[(3-fluorophenyl)methyl]pyridine-4-carbonyl]-(2-phenylethyl)amino]acetic acid has a molecular weight of 392.43 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3-fluorophenyl)methyl]pyridine-4-carbonyl]-(2-phenylethyl)amino]acetic acid is sourced from PubChem (CID 110165390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).