3-[2-(3-methylanilino)-2-oxoethoxy]pyridine-4-carboxylic acid

C15H14N2O4 — CID 81439330

IUPAC3-[2-(3-methylanilino)-2-oxoethoxy]pyridine-4-carboxylic acid
SMILESCc1cccc(NC(=O)COc2cnccc2C(=O)O)c1
InChIInChI=1S/C15H14N2O4/c1-10-3-2-4-11(7-10)17-14(18)9-21-13-8-16-6-5-12(13)15(19)20/h2-8H,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyDQLXPHMNOHAMIN-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.11
Rot. Bonds5

About 3-[2-(3-methylanilino)-2-oxoethoxy]pyridine-4-carboxylic acid

3-[2-(3-methylanilino)-2-oxoethoxy]pyridine-4-carboxylic acid (PubChem CID 81439330) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3-[2-(3-methylanilino)-2-oxoethoxy]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-(3-methylanilino)-2-oxoethoxy]pyridine-4-carboxylic acid
PubChem CID81439330
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name3-[2-(3-methylanilino)-2-oxoethoxy]pyridine-4-carboxylic acid
SMILESCc1cccc(NC(=O)COc2cnccc2C(=O)O)c1
InChIInChI=1S/C15H14N2O4/c1-10-3-2-4-11(7-10)17-14(18)9-21-13-8-16-6-5-12(13)15(19)20/h2-8H,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyDQLXPHMNOHAMIN-UHFFFAOYSA-N
XLogP2.11
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-[2-(3-methylanilino)-2-oxoethoxy]benzoic acid
CID 45418777
5-bromo-2-[2-(3-methylanilino)-2-oxoethoxy]benzoic acid
CID 8707260
N-(3-methylphenyl)-2-pyridin-3-yloxyacetamide
CID 110856684
5-chloro-2-[2-(3-methylanilino)-2-oxoethoxy]benzoic acid
CID 8707257
3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]pyridine-4-carboxylic acid
CID 81445469
2-[2-(3-methoxyanilino)-2-oxoethoxy]-4-methylbenzoic acid
CID 45418378
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
2-(2-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 747103
2-[2-(3-methylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 2709122
3-bromo-4-[2-(3-methylanilino)-2-oxoethoxy]benzoic acid
CID 8707266
5-[2-(3-methylanilino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 79789742
N-(3-methylphenyl)-2-(2-propanoylphenoxy)acetamide
CID 24693195

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methylanilino)-2-oxoethoxy]pyridine-4-carboxylic acid?
The IUPAC name of 3-[2-(3-methylanilino)-2-oxoethoxy]pyridine-4-carboxylic acid (CID 81439330) is 3-[2-(3-methylanilino)-2-oxoethoxy]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[2-(3-methylanilino)-2-oxoethoxy]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[2-(3-methylanilino)-2-oxoethoxy]pyridine-4-carboxylic acid is Cc1cccc(NC(=O)COc2cnccc2C(=O)O)c1.
What is the InChIKey of 3-[2-(3-methylanilino)-2-oxoethoxy]pyridine-4-carboxylic acid?
The InChIKey is DQLXPHMNOHAMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-10-3-2-4-11(7-10)17-14(18)9-21-13-8-16-6-5-12(13)15(19)20/h2-8H,9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-[2-(3-methylanilino)-2-oxoethoxy]pyridine-4-carboxylic acid?
3-[2-(3-methylanilino)-2-oxoethoxy]pyridine-4-carboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methylanilino)-2-oxoethoxy]pyridine-4-carboxylic acid is sourced from PubChem (CID 81439330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).