methyl 2-[[1-(4-methoxyphenyl)-6-oxopyridine-3-carbonyl]amino]acetate

C16H16N2O5 — CID 91945548

IUPACmethyl 2-[[1-(4-methoxyphenyl)-6-oxopyridine-3-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(=O)n(-c2ccc(OC)cc2)c1
InChIInChI=1S/C16H16N2O5/c1-22-13-6-4-12(5-7-13)18-10-11(3-8-14(18)19)16(21)17-9-15(20)23-2/h3-8,10H,9H2,1-2H3,(H,17,21)
InChIKeyAGBJBBATPCLLEI-UHFFFAOYSA-N
MW316.31 g/mol
LogP0.75
Rot. Bonds5

About methyl 2-[[1-(4-methoxyphenyl)-6-oxopyridine-3-carbonyl]amino]acetate

methyl 2-[[1-(4-methoxyphenyl)-6-oxopyridine-3-carbonyl]amino]acetate (PubChem CID 91945548) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is methyl 2-[[1-(4-methoxyphenyl)-6-oxopyridine-3-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-(4-methoxyphenyl)-6-oxopyridine-3-carbonyl]amino]acetate
PubChem CID91945548
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Namemethyl 2-[[1-(4-methoxyphenyl)-6-oxopyridine-3-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(=O)n(-c2ccc(OC)cc2)c1
InChIInChI=1S/C16H16N2O5/c1-22-13-6-4-12(5-7-13)18-10-11(3-8-14(18)19)16(21)17-9-15(20)23-2/h3-8,10H,9H2,1-2H3,(H,17,21)
InChIKeyAGBJBBATPCLLEI-UHFFFAOYSA-N
XLogP0.75
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxypropyl)-1-(4-methoxyphenyl)-6-oxopyridine-3-carboxamide
CID 91955026
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-(4-methoxyphenyl)-6-oxopyridine-3-carboxamide
CID 91954145
1-(4-methoxyphenyl)-6-oxo-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide
CID 91954993
1-(4-methoxyphenyl)-6-oxo-N-pentan-2-ylpyridine-3-carboxamide
CID 91955057
1-(4-methoxyphenyl)-6-oxo-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 91945572
1-(4-methoxyphenyl)-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 97465078
N-methoxy-1-(4-methoxyphenyl)-N-methyl-6-oxopyridine-3-carboxamide
CID 91955056
N-cyclohexyl-1-(4-methoxyphenyl)-6-oxopyridine-3-carboxamide
CID 91945533
N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-6-oxo-1-phenylpyridine-3-carboxamide
CID 71600843
tert-butyl 2-[(4-methoxybenzoyl)amino]acetate
CID 135045716
5-[(4-acetylanilino)methyl]-1-(4-methoxyphenyl)pyridin-2-one
CID 56848111
1-(4-methoxyphenyl)-N-methyl-6-oxo-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 91954977

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(4-methoxyphenyl)-6-oxopyridine-3-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[1-(4-methoxyphenyl)-6-oxopyridine-3-carbonyl]amino]acetate (CID 91945548) is methyl 2-[[1-(4-methoxyphenyl)-6-oxopyridine-3-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[1-(4-methoxyphenyl)-6-oxopyridine-3-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[1-(4-methoxyphenyl)-6-oxopyridine-3-carbonyl]amino]acetate is COC(=O)CNC(=O)c1ccc(=O)n(-c2ccc(OC)cc2)c1.
What is the InChIKey of methyl 2-[[1-(4-methoxyphenyl)-6-oxopyridine-3-carbonyl]amino]acetate?
The InChIKey is AGBJBBATPCLLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-22-13-6-4-12(5-7-13)18-10-11(3-8-14(18)19)16(21)17-9-15(20)23-2/h3-8,10H,9H2,1-2H3,(H,17,21).
What are the key properties of methyl 2-[[1-(4-methoxyphenyl)-6-oxopyridine-3-carbonyl]amino]acetate?
methyl 2-[[1-(4-methoxyphenyl)-6-oxopyridine-3-carbonyl]amino]acetate has a molecular weight of 316.31 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(4-methoxyphenyl)-6-oxopyridine-3-carbonyl]amino]acetate is sourced from PubChem (CID 91945548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).