5-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carboxylic acid

C11H16N2O3 — CID 115490822

IUPAC5-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carboxylic acid
SMILESCOCC(C)N(C)c1ccc(C(=O)O)nc1
InChIInChI=1S/C11H16N2O3/c1-8(7-16-3)13(2)9-4-5-10(11(14)15)12-6-9/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyULKQBOUKULVOCV-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.25
Rot. Bonds5

About 5-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carboxylic acid

5-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carboxylic acid (PubChem CID 115490822) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carboxylic acid
PubChem CID115490822
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name5-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carboxylic acid
SMILESCOCC(C)N(C)c1ccc(C(=O)O)nc1
InChIInChI=1S/C11H16N2O3/c1-8(7-16-3)13(2)9-4-5-10(11(14)15)12-6-9/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyULKQBOUKULVOCV-UHFFFAOYSA-N
XLogP1.25
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-2-carboxylic acid
CID 104638983
5-[butan-2-yl(ethyl)amino]pyridine-2-carboxylic acid
CID 115490776
6-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methylpyridin-3-amine
CID 115486936
5-[bis(2-methoxyethyl)amino]pyridine-2-carboxylic acid
CID 113321599
5-[ethyl(2-methoxyethyl)amino]pyridine-2-carboxylic acid
CID 115490842
5-[propan-2-yl(propyl)amino]pyridine-2-carboxylic acid
CID 115490777
5-(4-ethyl-N-methylanilino)pyridine-2-carboxylic acid
CID 113321588
5-[ethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid
CID 115490768
5-[methyl(3-methylbutanoyl)amino]pyridine-2-carboxylic acid
CID 115268096
2-[1-methoxypropan-2-yl(methyl)amino]-3-methylbenzoic acid
CID 107112082
5-[ethyl(2-ethylbutyl)amino]pyridine-2-carboxylic acid
CID 115490832
[4-[1-methoxypropan-2-yl(methyl)amino]phenyl]methanol
CID 61451739

Frequently Asked Questions

What is the IUPAC name of 5-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carboxylic acid (CID 115490822) is 5-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carboxylic acid is COCC(C)N(C)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carboxylic acid?
The InChIKey is ULKQBOUKULVOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8(7-16-3)13(2)9-4-5-10(11(14)15)12-6-9/h4-6,8H,7H2,1-3H3,(H,14,15).
What are the key properties of 5-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carboxylic acid?
5-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 115490822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).