methyl 4-[[5-[(3-amino-2-oxopropanoyl)amino]-2-pyridinyl]oxy]benzoate

C16H15N3O5 — CID 58231100

IUPACmethyl 4-[[5-[(3-amino-2-oxopropanoyl)amino]-2-pyridinyl]oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2ccc(NC(=O)C(=O)CN)cn2)cc1
InChIInChI=1S/C16H15N3O5/c1-23-16(22)10-2-5-12(6-3-10)24-14-7-4-11(9-18-14)19-15(21)13(20)8-17/h2-7,9H,8,17H2,1H3,(H,19,21)
InChIKeyFFBOPOPBQOOFJO-UHFFFAOYSA-N
MW329.31 g/mol
LogP1.13
Rot. Bonds6

About methyl 4-[[5-[(3-amino-2-oxopropanoyl)amino]-2-pyridinyl]oxy]benzoate

methyl 4-[[5-[(3-amino-2-oxopropanoyl)amino]-2-pyridinyl]oxy]benzoate (PubChem CID 58231100) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is methyl 4-[[5-[(3-amino-2-oxopropanoyl)amino]-2-pyridinyl]oxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-[(3-amino-2-oxopropanoyl)amino]-2-pyridinyl]oxy]benzoate
PubChem CID58231100
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Namemethyl 4-[[5-[(3-amino-2-oxopropanoyl)amino]-2-pyridinyl]oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2ccc(NC(=O)C(=O)CN)cn2)cc1
InChIInChI=1S/C16H15N3O5/c1-23-16(22)10-2-5-12(6-3-10)24-14-7-4-11(9-18-14)19-15(21)13(20)8-17/h2-7,9H,8,17H2,1H3,(H,19,21)
InChIKeyFFBOPOPBQOOFJO-UHFFFAOYSA-N
XLogP1.13
TPSA120.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze methyl 4-[[5-[(3-amino-2-oxopropanoyl)amino]-2-pyridinyl]oxy]benzoate with MolForge

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Related Compounds

methyl 4-[[5-(hydroxymethyl)-2-pyridinyl]oxy]benzoate
CID 138986702
methyl 6-(4-methylphenoxy)pyridine-3-carboxylate
CID 123190451
ethyl N-[6-[4-(ethoxycarbonylamino)phenoxy]-3-pyridinyl]carbamate
CID 110176757
methyl 6-[4-(2-amino-2-methylpropyl)phenoxy]pyridine-3-carboxylate
CID 70243352
4-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methoxybutanamide
CID 120595374
3-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]butanamide;dihydrochloride
CID 119893847
4-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide;dihydrochloride
CID 119852380
N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119893837
methyl 4-[[2-oxo-2-(4-phenoxyanilino)acetyl]amino]benzoate
CID 44999634
methyl 4-[4-(aminomethyl)phenoxy]benzoate;hydrochloride
CID 155817718
1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 42691260
ethyl 6-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate
CID 106485599

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-[(3-amino-2-oxopropanoyl)amino]-2-pyridinyl]oxy]benzoate?
The IUPAC name of methyl 4-[[5-[(3-amino-2-oxopropanoyl)amino]-2-pyridinyl]oxy]benzoate (CID 58231100) is methyl 4-[[5-[(3-amino-2-oxopropanoyl)amino]-2-pyridinyl]oxy]benzoate.
What is the SMILES notation for methyl 4-[[5-[(3-amino-2-oxopropanoyl)amino]-2-pyridinyl]oxy]benzoate?
The canonical SMILES for methyl 4-[[5-[(3-amino-2-oxopropanoyl)amino]-2-pyridinyl]oxy]benzoate is COC(=O)c1ccc(Oc2ccc(NC(=O)C(=O)CN)cn2)cc1.
What is the InChIKey of methyl 4-[[5-[(3-amino-2-oxopropanoyl)amino]-2-pyridinyl]oxy]benzoate?
The InChIKey is FFBOPOPBQOOFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5/c1-23-16(22)10-2-5-12(6-3-10)24-14-7-4-11(9-18-14)19-15(21)13(20)8-17/h2-7,9H,8,17H2,1H3,(H,19,21).
What are the key properties of methyl 4-[[5-[(3-amino-2-oxopropanoyl)amino]-2-pyridinyl]oxy]benzoate?
methyl 4-[[5-[(3-amino-2-oxopropanoyl)amino]-2-pyridinyl]oxy]benzoate has a molecular weight of 329.31 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-[(3-amino-2-oxopropanoyl)amino]-2-pyridinyl]oxy]benzoate is sourced from PubChem (CID 58231100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).