benzyl 2-[[3-(4-fluorobenzoyl)pyridine-2-carbonyl]-methylamino]acetate

C23H19FN2O4 — CID 10092731

IUPACbenzyl 2-[[3-(4-fluorobenzoyl)pyridine-2-carbonyl]-methylamino]acetate
SMILESCN(CC(=O)OCc1ccccc1)C(=O)c1ncccc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C23H19FN2O4/c1-26(14-20(27)30-15-16-6-3-2-4-7-16)23(29)21-19(8-5-13-25-21)22(28)17-9-11-18(24)12-10-17/h2-13H,14-15H2,1H3
InChIKeyBEIICDHEUMMEMT-UHFFFAOYSA-N
MW406.41 g/mol
LogP3.27
Rot. Bonds7

About benzyl 2-[[3-(4-fluorobenzoyl)pyridine-2-carbonyl]-methylamino]acetate

benzyl 2-[[3-(4-fluorobenzoyl)pyridine-2-carbonyl]-methylamino]acetate (PubChem CID 10092731) has the molecular formula C23H19FN2O4 and a molecular weight of 406.41 g/mol. Its IUPAC name is benzyl 2-[[3-(4-fluorobenzoyl)pyridine-2-carbonyl]-methylamino]acetate.

Molecular Properties

Compound Namebenzyl 2-[[3-(4-fluorobenzoyl)pyridine-2-carbonyl]-methylamino]acetate
PubChem CID10092731
Molecular FormulaC23H19FN2O4
Molecular Weight406.41 g/mol
Exact Mass406.13
IUPAC Namebenzyl 2-[[3-(4-fluorobenzoyl)pyridine-2-carbonyl]-methylamino]acetate
SMILESCN(CC(=O)OCc1ccccc1)C(=O)c1ncccc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C23H19FN2O4/c1-26(14-20(27)30-15-16-6-3-2-4-7-16)23(29)21-19(8-5-13-25-21)22(28)17-9-11-18(24)12-10-17/h2-13H,14-15H2,1H3
InChIKeyBEIICDHEUMMEMT-UHFFFAOYSA-N
XLogP3.27
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 44384730
1-[2-[4-[(Dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one
CID 91759552
4-(3-Acetyl-4-hydroxy-5-oxo-2-pyridin-2-yl-2,5-dihydro-pyrrol-1-yl)-benzoic acid ethyl ester
CID 649010
benzyl (2S)-2-(isoquinoline-3-carbonylamino)propanoate
CID 53230829
benzyl (2S)-5-amino-2-(isoquinoline-3-carbonylamino)-5-oxopentanoate
CID 53230948
Benzyl 2-(isoquinoline-3-carbonylamino)acetate
CID 53231052
benzyl (2S)-4-amino-2-(isoquinoline-3-carbonylamino)-4-oxobutanoate
CID 53231053
Pyridin-2-ylmethyl 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 4780284
[2-[4-(2,2-Dimethylpropanoylamino)phenyl]-2-oxoethyl] pyridine-2-carboxylate
CID 7433921
N-(1-(3,5-difluorobenzyl)piperidin-4-yl)-5-(3-(4-fluorobenzyloxy) azetidine-1-carbonyl)picolinamide
CID 66710575
4-(5-Fluoro-pyridin-2-ylmethoxy)-1-[2-(2-methyl-4-pyrrolidin-1-ylmethyl-phenyl)-2-oxo-ethyl]-1H-pyridin-2-one
CID 86695565
4-[(5-Fluoro-2-pyridinyl)methoxy]-1-[2-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridin-2-one
CID 91759549

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[3-(4-fluorobenzoyl)pyridine-2-carbonyl]-methylamino]acetate?
The IUPAC name of benzyl 2-[[3-(4-fluorobenzoyl)pyridine-2-carbonyl]-methylamino]acetate (CID 10092731) is benzyl 2-[[3-(4-fluorobenzoyl)pyridine-2-carbonyl]-methylamino]acetate.
What is the SMILES notation for benzyl 2-[[3-(4-fluorobenzoyl)pyridine-2-carbonyl]-methylamino]acetate?
The canonical SMILES for benzyl 2-[[3-(4-fluorobenzoyl)pyridine-2-carbonyl]-methylamino]acetate is CN(CC(=O)OCc1ccccc1)C(=O)c1ncccc1C(=O)c1ccc(F)cc1.
What is the InChIKey of benzyl 2-[[3-(4-fluorobenzoyl)pyridine-2-carbonyl]-methylamino]acetate?
The InChIKey is BEIICDHEUMMEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O4/c1-26(14-20(27)30-15-16-6-3-2-4-7-16)23(29)21-19(8-5-13-25-21)22(28)17-9-11-18(24)12-10-17/h2-13H,14-15H2,1H3.
What are the key properties of benzyl 2-[[3-(4-fluorobenzoyl)pyridine-2-carbonyl]-methylamino]acetate?
benzyl 2-[[3-(4-fluorobenzoyl)pyridine-2-carbonyl]-methylamino]acetate has a molecular weight of 406.41 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[3-(4-fluorobenzoyl)pyridine-2-carbonyl]-methylamino]acetate is sourced from PubChem (CID 10092731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).