6-methyl-3-[2-(2-methylpropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid

C13H18N2O4 — CID 79158684

IUPAC6-methyl-3-[2-(2-methylpropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
SMILESCc1ccc(OCC(=O)NCC(C)C)c(C(=O)O)n1
InChIInChI=1S/C13H18N2O4/c1-8(2)6-14-11(16)7-19-10-5-4-9(3)15-12(10)13(17)18/h4-5,8H,6-7H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyPKUWSBQKLWVFKD-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.24
Rot. Bonds6

About 6-methyl-3-[2-(2-methylpropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid

6-methyl-3-[2-(2-methylpropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid (PubChem CID 79158684) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-methyl-3-[2-(2-methylpropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-methyl-3-[2-(2-methylpropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
PubChem CID79158684
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name6-methyl-3-[2-(2-methylpropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
SMILESCc1ccc(OCC(=O)NCC(C)C)c(C(=O)O)n1
InChIInChI=1S/C13H18N2O4/c1-8(2)6-14-11(16)7-19-10-5-4-9(3)15-12(10)13(17)18/h4-5,8H,6-7H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyPKUWSBQKLWVFKD-UHFFFAOYSA-N
XLogP1.24
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-methyl-3-[2-(2-methylpropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2-methylpropyl)acetamide
CID 4007812
2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-(2-methylpropyl)acetamide
CID 79169482
2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-N-(2-methylpropyl)acetamide
CID 79151664
5-methyl-2-[2-(2-methylpropylamino)-2-oxoethoxy]benzoic acid
CID 45304092
6-methyl-3-(2-methylbutoxy)pyridine-2-carboxylic acid
CID 79158533
4-bromo-3-[2-(2-methylpropylamino)-2-oxoethoxy]benzoic acid
CID 114103812
5-chloro-2-[2-(2-methylpropylamino)-2-oxoethoxy]benzoic acid
CID 43216932
3-[2-[ethyl(methyl)amino]-2-oxoethoxy]-6-methylpyridine-2-carboxylic acid
CID 79156299
2-(2-hydroxyphenoxy)-N-(2-methylpropyl)acetamide
CID 43087121
2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-(2-methylpropyl)acetamide
CID 63365039
3-(3-methoxypropoxy)-6-methylpyridine-2-carboxylic acid
CID 79158863
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide
CID 7642347

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-(2-methylpropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid?
The IUPAC name of 6-methyl-3-[2-(2-methylpropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid (CID 79158684) is 6-methyl-3-[2-(2-methylpropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-methyl-3-[2-(2-methylpropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 6-methyl-3-[2-(2-methylpropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid is Cc1ccc(OCC(=O)NCC(C)C)c(C(=O)O)n1.
What is the InChIKey of 6-methyl-3-[2-(2-methylpropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid?
The InChIKey is PKUWSBQKLWVFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8(2)6-14-11(16)7-19-10-5-4-9(3)15-12(10)13(17)18/h4-5,8H,6-7H2,1-3H3,(H,14,16)(H,17,18).
What are the key properties of 6-methyl-3-[2-(2-methylpropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid?
6-methyl-3-[2-(2-methylpropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-(2-methylpropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 79158684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).