3-[3-methoxypropyl(methyl)amino]pyridine-4-carboxylic acid

C11H16N2O3 — CID 114288657

IUPAC3-[3-methoxypropyl(methyl)amino]pyridine-4-carboxylic acid
SMILESCOCCCN(C)c1cnccc1C(=O)O
InChIInChI=1S/C11H16N2O3/c1-13(6-3-7-16-2)10-8-12-5-4-9(10)11(14)15/h4-5,8H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyMWAFYRQHWRSCRW-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.25
Rot. Bonds6

About 3-[3-methoxypropyl(methyl)amino]pyridine-4-carboxylic acid

3-[3-methoxypropyl(methyl)amino]pyridine-4-carboxylic acid (PubChem CID 114288657) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-[3-methoxypropyl(methyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[3-methoxypropyl(methyl)amino]pyridine-4-carboxylic acid
PubChem CID114288657
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3-[3-methoxypropyl(methyl)amino]pyridine-4-carboxylic acid
SMILESCOCCCN(C)c1cnccc1C(=O)O
InChIInChI=1S/C11H16N2O3/c1-13(6-3-7-16-2)10-8-12-5-4-9(10)11(14)15/h4-5,8H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyMWAFYRQHWRSCRW-UHFFFAOYSA-N
XLogP1.25
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid
CID 82961141
3-[2-cyanoethyl(methyl)amino]pyridine-4-carboxylic acid
CID 105062562
3-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboxylic acid
CID 114288792
4-[3-methoxypropyl(methyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81244760
3-(4-methoxybutoxy)pyridine-4-carboxylic acid
CID 104646814
4-[3-(dimethylamino)propoxy]pyridine-3-carboxylic acid
CID 81225280
4-(4-methoxybutylcarbamoyl)pyridine-3-carboxylic acid
CID 114244376
2-amino-3-[3-methoxypropyl(methyl)amino]benzoic acid
CID 115545998
5-chloro-2-[3-methoxypropyl(methyl)amino]benzoic acid
CID 63007718
4-[1-methoxypropan-2-yl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 114244358
2-chloro-4-[3-methoxypropyl(methyl)amino]benzoic acid
CID 63008083
2-[3-methoxypropyl(methyl)amino]-5-sulfamoylbenzoic acid
CID 63009379

Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxypropyl(methyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[3-methoxypropyl(methyl)amino]pyridine-4-carboxylic acid (CID 114288657) is 3-[3-methoxypropyl(methyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[3-methoxypropyl(methyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[3-methoxypropyl(methyl)amino]pyridine-4-carboxylic acid is COCCCN(C)c1cnccc1C(=O)O.
What is the InChIKey of 3-[3-methoxypropyl(methyl)amino]pyridine-4-carboxylic acid?
The InChIKey is MWAFYRQHWRSCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-13(6-3-7-16-2)10-8-12-5-4-9(10)11(14)15/h4-5,8H,3,6-7H2,1-2H3,(H,14,15).
What are the key properties of 3-[3-methoxypropyl(methyl)amino]pyridine-4-carboxylic acid?
3-[3-methoxypropyl(methyl)amino]pyridine-4-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxypropyl(methyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114288657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).