5-[2-(3-methylanilino)-2-oxoethoxy]pyridine-2-carboxylic acid

C15H14N2O4 — CID 79789742

IUPAC5-[2-(3-methylanilino)-2-oxoethoxy]pyridine-2-carboxylic acid
SMILESCc1cccc(NC(=O)COc2ccc(C(=O)O)nc2)c1
InChIInChI=1S/C15H14N2O4/c1-10-3-2-4-11(7-10)17-14(18)9-21-12-5-6-13(15(19)20)16-8-12/h2-8H,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyYYVXXNQUEPBMRZ-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.11
Rot. Bonds5

About 5-[2-(3-methylanilino)-2-oxoethoxy]pyridine-2-carboxylic acid

5-[2-(3-methylanilino)-2-oxoethoxy]pyridine-2-carboxylic acid (PubChem CID 79789742) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 5-[2-(3-methylanilino)-2-oxoethoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(3-methylanilino)-2-oxoethoxy]pyridine-2-carboxylic acid
PubChem CID79789742
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name5-[2-(3-methylanilino)-2-oxoethoxy]pyridine-2-carboxylic acid
SMILESCc1cccc(NC(=O)COc2ccc(C(=O)O)nc2)c1
InChIInChI=1S/C15H14N2O4/c1-10-3-2-4-11(7-10)17-14(18)9-21-12-5-6-13(15(19)20)16-8-12/h2-8H,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyYYVXXNQUEPBMRZ-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

5-[2-(3-bromoanilino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 79789743
N-(3-methylphenyl)-2-pyridin-3-yloxyacetamide
CID 110856684
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
2-[4-(hydroxymethyl)phenoxy]-N-(3-methylphenyl)acetamide
CID 28561560
2-[4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126267882
N-(3-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 729999
2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 63364236
3-[2-(3-methylanilino)-2-oxoethoxy]pyridine-4-carboxylic acid
CID 81439330
N-(3-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 877748
3-[[2-(4-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164547
2-(2-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 747103
2-[(6-bromo-3-pyridinyl)oxy]-N-(3-methoxyphenyl)acetamide
CID 103756161

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-methylanilino)-2-oxoethoxy]pyridine-2-carboxylic acid?
The IUPAC name of 5-[2-(3-methylanilino)-2-oxoethoxy]pyridine-2-carboxylic acid (CID 79789742) is 5-[2-(3-methylanilino)-2-oxoethoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[2-(3-methylanilino)-2-oxoethoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[2-(3-methylanilino)-2-oxoethoxy]pyridine-2-carboxylic acid is Cc1cccc(NC(=O)COc2ccc(C(=O)O)nc2)c1.
What is the InChIKey of 5-[2-(3-methylanilino)-2-oxoethoxy]pyridine-2-carboxylic acid?
The InChIKey is YYVXXNQUEPBMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-10-3-2-4-11(7-10)17-14(18)9-21-12-5-6-13(15(19)20)16-8-12/h2-8H,9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-[2-(3-methylanilino)-2-oxoethoxy]pyridine-2-carboxylic acid?
5-[2-(3-methylanilino)-2-oxoethoxy]pyridine-2-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 5-[2-(3-methylanilino)-2-oxoethoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 79789742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).