methyl 2-[[5-[(4-benzoylbenzoyl)amino]-2-pyridinyl]oxy]acetate

C22H18N2O5 — CID 15980958

IUPACmethyl 2-[[5-[(4-benzoylbenzoyl)amino]-2-pyridinyl]oxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)cn1
InChIInChI=1S/C22H18N2O5/c1-28-20(25)14-29-19-12-11-18(13-23-19)24-22(27)17-9-7-16(8-10-17)21(26)15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,24,27)
InChIKeySRKXALOIFSRANJ-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.12
Rot. Bonds7

About methyl 2-[[5-[(4-benzoylbenzoyl)amino]-2-pyridinyl]oxy]acetate

methyl 2-[[5-[(4-benzoylbenzoyl)amino]-2-pyridinyl]oxy]acetate (PubChem CID 15980958) has the molecular formula C22H18N2O5 and a molecular weight of 390.40 g/mol. Its IUPAC name is methyl 2-[[5-[(4-benzoylbenzoyl)amino]-2-pyridinyl]oxy]acetate.

Molecular Properties

Compound Namemethyl 2-[[5-[(4-benzoylbenzoyl)amino]-2-pyridinyl]oxy]acetate
PubChem CID15980958
Molecular FormulaC22H18N2O5
Molecular Weight390.40 g/mol
Exact Mass390.12
IUPAC Namemethyl 2-[[5-[(4-benzoylbenzoyl)amino]-2-pyridinyl]oxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)cn1
InChIInChI=1S/C22H18N2O5/c1-28-20(25)14-29-19-12-11-18(13-23-19)24-22(27)17-9-7-16(8-10-17)21(26)15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,24,27)
InChIKeySRKXALOIFSRANJ-UHFFFAOYSA-N
XLogP3.12
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-N-phenylpyridine-3-carboxamide
CID 44512975
2-[[5-[(4-azidobenzoyl)amino]-2-pyridinyl]oxy]acetic acid
CID 23499531
4-benzoyl-N-(4-fluorophenyl)benzamide
CID 2315903
4-butoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 7478576
N-[4-(5-benzamido-2-pyridinyl)phenyl]benzamide
CID 86766305
N-[4-[2-(2-iodophenoxy)acetyl]phenyl]benzamide
CID 38879314
3-cyano-N-[6-(2-methoxyethoxy)-3-pyridinyl]benzamide
CID 43069880
N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]benzamide
CID 113012431
methyl 2-[(5-acetyloxy-2-pyridinyl)oxy]acetate
CID 18619218
3-methylbutyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate
CID 15981317
N-[(1S)-3-[(6-methoxy-3-pyridinyl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 9210815
4-(1,3-dithiolan-2-yl)-N-(6-methoxy-3-pyridinyl)benzamide
CID 40599544

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-[(4-benzoylbenzoyl)amino]-2-pyridinyl]oxy]acetate?
The IUPAC name of methyl 2-[[5-[(4-benzoylbenzoyl)amino]-2-pyridinyl]oxy]acetate (CID 15980958) is methyl 2-[[5-[(4-benzoylbenzoyl)amino]-2-pyridinyl]oxy]acetate.
What is the SMILES notation for methyl 2-[[5-[(4-benzoylbenzoyl)amino]-2-pyridinyl]oxy]acetate?
The canonical SMILES for methyl 2-[[5-[(4-benzoylbenzoyl)amino]-2-pyridinyl]oxy]acetate is COC(=O)COc1ccc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)cn1.
What is the InChIKey of methyl 2-[[5-[(4-benzoylbenzoyl)amino]-2-pyridinyl]oxy]acetate?
The InChIKey is SRKXALOIFSRANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O5/c1-28-20(25)14-29-19-12-11-18(13-23-19)24-22(27)17-9-7-16(8-10-17)21(26)15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,24,27).
What are the key properties of methyl 2-[[5-[(4-benzoylbenzoyl)amino]-2-pyridinyl]oxy]acetate?
methyl 2-[[5-[(4-benzoylbenzoyl)amino]-2-pyridinyl]oxy]acetate has a molecular weight of 390.40 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-[(4-benzoylbenzoyl)amino]-2-pyridinyl]oxy]acetate is sourced from PubChem (CID 15980958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).