ethyl 2-[4-[(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)amino]phenyl]acetate

C23H22N2O5 — CID 123683336

IUPACethyl 2-[4-[(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)amino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NC(=O)c2cc(=O)c(OCc3ccccc3)c[nH]2)cc1
InChIInChI=1S/C23H22N2O5/c1-2-29-22(27)12-16-8-10-18(11-9-16)25-23(28)19-13-20(26)21(14-24-19)30-15-17-6-4-3-5-7-17/h3-11,13-14H,2,12,15H2,1H3,(H,24,26)(H,25,28)
InChIKeyKFQWULHIEHLUAN-UHFFFAOYSA-N
MW406.44 g/mol
LogP3.31
Rot. Bonds8

About ethyl 2-[4-[(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)amino]phenyl]acetate

ethyl 2-[4-[(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)amino]phenyl]acetate (PubChem CID 123683336) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is ethyl 2-[4-[(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)amino]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)amino]phenyl]acetate
PubChem CID123683336
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC Nameethyl 2-[4-[(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)amino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NC(=O)c2cc(=O)c(OCc3ccccc3)c[nH]2)cc1
InChIInChI=1S/C23H22N2O5/c1-2-29-22(27)12-16-8-10-18(11-9-16)25-23(28)19-13-20(26)21(14-24-19)30-15-17-6-4-3-5-7-17/h3-11,13-14H,2,12,15H2,1H3,(H,24,26)(H,25,28)
InChIKeyKFQWULHIEHLUAN-UHFFFAOYSA-N
XLogP3.31
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[4-[(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)amino]phenyl]acetate with MolForge

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Related Compounds

4-oxo-N-phenyl-5-phenylmethoxy-1H-pyridine-2-carboxamide
CID 42442472
N-(4-fluorophenyl)-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide
CID 42442339
N-(3,4-difluorophenyl)-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide
CID 42442345
2-[4-[(5-butoxy-4-oxo-1H-pyridine-2-carbonyl)amino]phenyl]acetic acid
CID 67963681
5-[(4-chlorophenyl)methoxy]-N-(6-methoxy-3-pyridinyl)-4-oxo-1H-pyridine-2-carboxamide
CID 52898437
5-[(3-methylphenyl)methoxy]-4-oxo-1H-pyridine-2-carboxylic acid
CID 82017868
ethyl 2-phenylacetate
CID 7590
[4-(phenylcarbamoyl)phenyl]methyl 2-(4-ethoxyphenyl)acetate
CID 18226760
ethyl 2-[4-(phenylmethoxycarbonylcarbamoyl)phenyl]acetate
CID 70059375
5-[(4-chlorophenyl)methoxy]-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-pyridine-2-carboxamide
CID 52898168
ethyl 2-phenylacetate;hydrate
CID 141257001
5-[(4-fluorophenyl)methoxy]-N-(2-methylpropyl)-4-oxo-1H-pyridine-2-carboxamide
CID 42442742

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)amino]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)amino]phenyl]acetate (CID 123683336) is ethyl 2-[4-[(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)amino]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)amino]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)amino]phenyl]acetate is CCOC(=O)Cc1ccc(NC(=O)c2cc(=O)c(OCc3ccccc3)c[nH]2)cc1.
What is the InChIKey of ethyl 2-[4-[(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)amino]phenyl]acetate?
The InChIKey is KFQWULHIEHLUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5/c1-2-29-22(27)12-16-8-10-18(11-9-16)25-23(28)19-13-20(26)21(14-24-19)30-15-17-6-4-3-5-7-17/h3-11,13-14H,2,12,15H2,1H3,(H,24,26)(H,25,28).
What are the key properties of ethyl 2-[4-[(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)amino]phenyl]acetate?
ethyl 2-[4-[(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)amino]phenyl]acetate has a molecular weight of 406.44 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)amino]phenyl]acetate is sourced from PubChem (CID 123683336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).