ethyl 1-amino-4-oxo-3-phenylmethoxypyridine-2-carboxylate

C15H16N2O4 — CID 134464571

IUPACethyl 1-amino-4-oxo-3-phenylmethoxypyridine-2-carboxylate
SMILESCCOC(=O)c1c(OCc2ccccc2)c(=O)ccn1N
InChIInChI=1S/C15H16N2O4/c1-2-20-15(19)13-14(12(18)8-9-17(13)16)21-10-11-6-4-3-5-7-11/h3-9H,2,10,16H2,1H3
InChIKeyMHZYNARBCAZWSZ-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.32
Rot. Bonds5

About ethyl 1-amino-4-oxo-3-phenylmethoxypyridine-2-carboxylate

ethyl 1-amino-4-oxo-3-phenylmethoxypyridine-2-carboxylate (PubChem CID 134464571) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is ethyl 1-amino-4-oxo-3-phenylmethoxypyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-4-oxo-3-phenylmethoxypyridine-2-carboxylate
PubChem CID134464571
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Nameethyl 1-amino-4-oxo-3-phenylmethoxypyridine-2-carboxylate
SMILESCCOC(=O)c1c(OCc2ccccc2)c(=O)ccn1N
InChIInChI=1S/C15H16N2O4/c1-2-20-15(19)13-14(12(18)8-9-17(13)16)21-10-11-6-4-3-5-7-11/h3-9H,2,10,16H2,1H3
InChIKeyMHZYNARBCAZWSZ-UHFFFAOYSA-N
XLogP1.32
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-amino-2-(3-methylpent-4-enoyl)-3-phenylmethoxypyridin-4-one
CID 164968934
ethyl 3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)benzoate
CID 10338739
1-amino-N-(4,4-dimethoxybutyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 70369313
1-amino-N-(oxan-4-ylmethyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 147078331
ethyl 3,5-difluoro-4-phenylmethoxybenzoate
CID 165353841
1-amino-N-(1-ethenylcyclobutyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 156780552
diethyl 4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2,5-dicarboxylate
CID 129129880
1-amino-N-[2-(2-butoxy-2-methoxyethoxy)ethyl]-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 134484200
diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 11393300
diethyl 3-hydroxy-4-phenylmethoxythiophene-2,5-dicarboxylate
CID 54676787
1-benzyl-6-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid
CID 66941625
diethyl 1-benzyl-3,4-dihydroxypyrrole-2,5-dicarboxylate
CID 54682554

Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-4-oxo-3-phenylmethoxypyridine-2-carboxylate?
The IUPAC name of ethyl 1-amino-4-oxo-3-phenylmethoxypyridine-2-carboxylate (CID 134464571) is ethyl 1-amino-4-oxo-3-phenylmethoxypyridine-2-carboxylate.
What is the SMILES notation for ethyl 1-amino-4-oxo-3-phenylmethoxypyridine-2-carboxylate?
The canonical SMILES for ethyl 1-amino-4-oxo-3-phenylmethoxypyridine-2-carboxylate is CCOC(=O)c1c(OCc2ccccc2)c(=O)ccn1N.
What is the InChIKey of ethyl 1-amino-4-oxo-3-phenylmethoxypyridine-2-carboxylate?
The InChIKey is MHZYNARBCAZWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-2-20-15(19)13-14(12(18)8-9-17(13)16)21-10-11-6-4-3-5-7-11/h3-9H,2,10,16H2,1H3.
What are the key properties of ethyl 1-amino-4-oxo-3-phenylmethoxypyridine-2-carboxylate?
ethyl 1-amino-4-oxo-3-phenylmethoxypyridine-2-carboxylate has a molecular weight of 288.30 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-4-oxo-3-phenylmethoxypyridine-2-carboxylate is sourced from PubChem (CID 134464571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).