2-[[3-[2-(methylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]methyl]benzoic acid

C16H16N2O5 — CID 94745787

IUPAC2-[[3-[2-(methylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]methyl]benzoic acid
SMILESCNC(=O)COc1cccn(Cc2ccccc2C(=O)O)c1=O
InChIInChI=1S/C16H16N2O5/c1-17-14(19)10-23-13-7-4-8-18(15(13)20)9-11-5-2-3-6-12(11)16(21)22/h2-8H,9-10H2,1H3,(H,17,19)(H,21,22)
InChIKeyMXWJMJHTZBKGMT-UHFFFAOYSA-N
MW316.31 g/mol
LogP0.72
Rot. Bonds6

About 2-[[3-[2-(methylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]methyl]benzoic acid

2-[[3-[2-(methylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]methyl]benzoic acid (PubChem CID 94745787) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is 2-[[3-[2-(methylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]methyl]benzoic acid.

Molecular Properties

Compound Name2-[[3-[2-(methylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]methyl]benzoic acid
PubChem CID94745787
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name2-[[3-[2-(methylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]methyl]benzoic acid
SMILESCNC(=O)COc1cccn(Cc2ccccc2C(=O)O)c1=O
InChIInChI=1S/C16H16N2O5/c1-17-14(19)10-23-13-7-4-8-18(15(13)20)9-11-5-2-3-6-12(11)16(21)22/h2-8H,9-10H2,1H3,(H,17,19)(H,21,22)
InChIKeyMXWJMJHTZBKGMT-UHFFFAOYSA-N
XLogP0.72
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-(methylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]methyl]benzoic acid?
The IUPAC name of 2-[[3-[2-(methylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]methyl]benzoic acid (CID 94745787) is 2-[[3-[2-(methylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]methyl]benzoic acid.
What is the SMILES notation for 2-[[3-[2-(methylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]methyl]benzoic acid?
The canonical SMILES for 2-[[3-[2-(methylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]methyl]benzoic acid is CNC(=O)COc1cccn(Cc2ccccc2C(=O)O)c1=O.
What is the InChIKey of 2-[[3-[2-(methylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]methyl]benzoic acid?
The InChIKey is MXWJMJHTZBKGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-17-14(19)10-23-13-7-4-8-18(15(13)20)9-11-5-2-3-6-12(11)16(21)22/h2-8H,9-10H2,1H3,(H,17,19)(H,21,22).
What are the key properties of 2-[[3-[2-(methylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]methyl]benzoic acid?
2-[[3-[2-(methylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]methyl]benzoic acid has a molecular weight of 316.31 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[2-(methylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]methyl]benzoic acid is sourced from PubChem (CID 94745787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).