2-[[6-[(4-fluorophenyl)methyl]pyridine-3-carbonyl]-[(3-methoxyphenyl)methyl]amino]acetic acid

C23H21FN2O4 — CID 110165635

IUPAC2-[[6-[(4-fluorophenyl)methyl]pyridine-3-carbonyl]-[(3-methoxyphenyl)methyl]amino]acetic acid
SMILESCOc1cccc(CN(CC(=O)O)C(=O)c2ccc(Cc3ccc(F)cc3)nc2)c1
InChIInChI=1S/C23H21FN2O4/c1-30-21-4-2-3-17(12-21)14-26(15-22(27)28)23(29)18-7-10-20(25-13-18)11-16-5-8-19(24)9-6-16/h2-10,12-13H,11,14-15H2,1H3,(H,27,28)
InChIKeyBIKQAUWLWMWQNI-UHFFFAOYSA-N
MW408.43 g/mol
LogP3.55
Rot. Bonds8

About 2-[[6-[(4-fluorophenyl)methyl]pyridine-3-carbonyl]-[(3-methoxyphenyl)methyl]amino]acetic acid

2-[[6-[(4-fluorophenyl)methyl]pyridine-3-carbonyl]-[(3-methoxyphenyl)methyl]amino]acetic acid (PubChem CID 110165635) has the molecular formula C23H21FN2O4 and a molecular weight of 408.43 g/mol. Its IUPAC name is 2-[[6-[(4-fluorophenyl)methyl]pyridine-3-carbonyl]-[(3-methoxyphenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[6-[(4-fluorophenyl)methyl]pyridine-3-carbonyl]-[(3-methoxyphenyl)methyl]amino]acetic acid
PubChem CID110165635
Molecular FormulaC23H21FN2O4
Molecular Weight408.43 g/mol
Exact Mass408.15
IUPAC Name2-[[6-[(4-fluorophenyl)methyl]pyridine-3-carbonyl]-[(3-methoxyphenyl)methyl]amino]acetic acid
SMILESCOc1cccc(CN(CC(=O)O)C(=O)c2ccc(Cc3ccc(F)cc3)nc2)c1
InChIInChI=1S/C23H21FN2O4/c1-30-21-4-2-3-17(12-21)14-26(15-22(27)28)23(29)18-7-10-20(25-13-18)11-16-5-8-19(24)9-6-16/h2-10,12-13H,11,14-15H2,1H3,(H,27,28)
InChIKeyBIKQAUWLWMWQNI-UHFFFAOYSA-N
XLogP3.55
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[6-[(4-fluorophenyl)methyl]pyridine-3-carbonyl]-[(3-methoxyphenyl)methyl]amino]acetic acid 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

2-[(3,5-dimethoxyphenyl)methyl-[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid
CID 120518078
4-fluoro-N-[[(5S)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 93115807
2,5-bis[(3-methoxyphenyl)methyl]pyridine
CID 91067305
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 42248306
2-[(3,5-dimethoxyphenyl)methyl-(4-fluoro-2-methylbenzoyl)amino]acetic acid
CID 120518096
ethane;methyl 6-[(3-fluorophenyl)methyl]pyridine-3-carboxylate
CID 91575193
2-[(3,4-dimethoxybenzoyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
CID 119197682
2-[[(2R)-2-[(4-chloro-3-fluorophenyl)methyl]-7-methoxy-2-methyl-3H-1-benzofuran-5-carbonyl]-[(3-methoxyphenyl)methyl]amino]acetic acid
CID 125013825
N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide
CID 78800954
[3-[[(4-methoxybenzoyl)-(2-methylpropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 4120583
2-[(3,5-dimethoxyphenyl)methyl-[2-(3-methoxyphenyl)acetyl]amino]acetic acid
CID 119197685
3-amino-N-(2-amino-2-oxoethyl)-N-[(3-methoxyphenyl)methyl]benzamide
CID 144888017

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(4-fluorophenyl)methyl]pyridine-3-carbonyl]-[(3-methoxyphenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[[6-[(4-fluorophenyl)methyl]pyridine-3-carbonyl]-[(3-methoxyphenyl)methyl]amino]acetic acid (CID 110165635) is 2-[[6-[(4-fluorophenyl)methyl]pyridine-3-carbonyl]-[(3-methoxyphenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[[6-[(4-fluorophenyl)methyl]pyridine-3-carbonyl]-[(3-methoxyphenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[[6-[(4-fluorophenyl)methyl]pyridine-3-carbonyl]-[(3-methoxyphenyl)methyl]amino]acetic acid is COc1cccc(CN(CC(=O)O)C(=O)c2ccc(Cc3ccc(F)cc3)nc2)c1.
What is the InChIKey of 2-[[6-[(4-fluorophenyl)methyl]pyridine-3-carbonyl]-[(3-methoxyphenyl)methyl]amino]acetic acid?
The InChIKey is BIKQAUWLWMWQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O4/c1-30-21-4-2-3-17(12-21)14-26(15-22(27)28)23(29)18-7-10-20(25-13-18)11-16-5-8-19(24)9-6-16/h2-10,12-13H,11,14-15H2,1H3,(H,27,28).
What are the key properties of 2-[[6-[(4-fluorophenyl)methyl]pyridine-3-carbonyl]-[(3-methoxyphenyl)methyl]amino]acetic acid?
2-[[6-[(4-fluorophenyl)methyl]pyridine-3-carbonyl]-[(3-methoxyphenyl)methyl]amino]acetic acid has a molecular weight of 408.43 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(4-fluorophenyl)methyl]pyridine-3-carbonyl]-[(3-methoxyphenyl)methyl]amino]acetic acid is sourced from PubChem (CID 110165635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).