ethyl 3-[(4-oxo-3-phenylmethoxy-1H-pyridine-2-carbonyl)amino]propanoate

C18H20N2O5 — CID 58067176

IUPACethyl 3-[(4-oxo-3-phenylmethoxy-1H-pyridine-2-carbonyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1[nH]ccc(=O)c1OCc1ccccc1
InChIInChI=1S/C18H20N2O5/c1-2-24-15(22)9-11-20-18(23)16-17(14(21)8-10-19-16)25-12-13-6-4-3-5-7-13/h3-8,10H,2,9,11-12H2,1H3,(H,19,21)(H,20,23)
InChIKeyXLLKNERZRBGERN-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.64
Rot. Bonds8

About ethyl 3-[(4-oxo-3-phenylmethoxy-1H-pyridine-2-carbonyl)amino]propanoate

ethyl 3-[(4-oxo-3-phenylmethoxy-1H-pyridine-2-carbonyl)amino]propanoate (PubChem CID 58067176) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is ethyl 3-[(4-oxo-3-phenylmethoxy-1H-pyridine-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(4-oxo-3-phenylmethoxy-1H-pyridine-2-carbonyl)amino]propanoate
PubChem CID58067176
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Nameethyl 3-[(4-oxo-3-phenylmethoxy-1H-pyridine-2-carbonyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1[nH]ccc(=O)c1OCc1ccccc1
InChIInChI=1S/C18H20N2O5/c1-2-24-15(22)9-11-20-18(23)16-17(14(21)8-10-19-16)25-12-13-6-4-3-5-7-13/h3-8,10H,2,9,11-12H2,1H3,(H,19,21)(H,20,23)
InChIKeyXLLKNERZRBGERN-UHFFFAOYSA-N
XLogP1.64
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenylmethoxy-2-propanoyl-1H-pyridin-4-one
CID 159607116
2-acetyl-3-phenylmethoxy-1H-pyridin-4-one
CID 145314511
diethyl 4-oxo-3-phenylmethoxy-1H-pyridine-2,5-dicarboxylate
CID 129086322
ethyl 3-[(1-chloroisoquinoline-4-carbonyl)amino]propanoate
CID 106766130
N-[2-[bis[2-[(5-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carbonyl)amino]ethyl]amino]ethyl]-5-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carboxamide
CID 67673667
ethyl 3-[(2-ethylbenzoyl)amino]propanoate
CID 70914012
ethyl 2-benzyl-3-[(3-ethoxy-3-oxopropyl)amino]-3-oxopropanoate
CID 174660522
ethyl 3-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119281055
ethyl 3-oxo-5-(phenylmethoxycarbonylamino)pentanoate
CID 15195445
ethyl 3-[3-[(2-chlorobenzoyl)amino]propanoylamino]propanoate
CID 91637595
ethyl 6-[(2-phenylacetyl)amino]hexanoate
CID 46844441
ethyl 3-[[(2R)-1-phenylmethoxypropan-2-yl]amino]propanoate
CID 175699812

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-oxo-3-phenylmethoxy-1H-pyridine-2-carbonyl)amino]propanoate?
The IUPAC name of ethyl 3-[(4-oxo-3-phenylmethoxy-1H-pyridine-2-carbonyl)amino]propanoate (CID 58067176) is ethyl 3-[(4-oxo-3-phenylmethoxy-1H-pyridine-2-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(4-oxo-3-phenylmethoxy-1H-pyridine-2-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 3-[(4-oxo-3-phenylmethoxy-1H-pyridine-2-carbonyl)amino]propanoate is CCOC(=O)CCNC(=O)c1[nH]ccc(=O)c1OCc1ccccc1.
What is the InChIKey of ethyl 3-[(4-oxo-3-phenylmethoxy-1H-pyridine-2-carbonyl)amino]propanoate?
The InChIKey is XLLKNERZRBGERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-2-24-15(22)9-11-20-18(23)16-17(14(21)8-10-19-16)25-12-13-6-4-3-5-7-13/h3-8,10H,2,9,11-12H2,1H3,(H,19,21)(H,20,23).
What are the key properties of ethyl 3-[(4-oxo-3-phenylmethoxy-1H-pyridine-2-carbonyl)amino]propanoate?
ethyl 3-[(4-oxo-3-phenylmethoxy-1H-pyridine-2-carbonyl)amino]propanoate has a molecular weight of 344.37 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-oxo-3-phenylmethoxy-1H-pyridine-2-carbonyl)amino]propanoate is sourced from PubChem (CID 58067176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).