4-[3-methoxypropyl(methyl)amino]-6-methylpyridine-3-carboxylic acid

C12H18N2O3 — CID 81244760

IUPAC4-[3-methoxypropyl(methyl)amino]-6-methylpyridine-3-carboxylic acid
SMILESCOCCCN(C)c1cc(C)ncc1C(=O)O
InChIInChI=1S/C12H18N2O3/c1-9-7-11(10(8-13-9)12(15)16)14(2)5-4-6-17-3/h7-8H,4-6H2,1-3H3,(H,15,16)
InChIKeyVHGJHAXTGRKREL-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.56
Rot. Bonds6

About 4-[3-methoxypropyl(methyl)amino]-6-methylpyridine-3-carboxylic acid

4-[3-methoxypropyl(methyl)amino]-6-methylpyridine-3-carboxylic acid (PubChem CID 81244760) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-[3-methoxypropyl(methyl)amino]-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[3-methoxypropyl(methyl)amino]-6-methylpyridine-3-carboxylic acid
PubChem CID81244760
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name4-[3-methoxypropyl(methyl)amino]-6-methylpyridine-3-carboxylic acid
SMILESCOCCCN(C)c1cc(C)ncc1C(=O)O
InChIInChI=1S/C12H18N2O3/c1-9-7-11(10(8-13-9)12(15)16)14(2)5-4-6-17-3/h7-8H,4-6H2,1-3H3,(H,15,16)
InChIKeyVHGJHAXTGRKREL-UHFFFAOYSA-N
XLogP1.56
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.56
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

4-(3-methoxypropoxy)-6-methylpyridine-3-carboxylic acid
CID 81225924
3-[3-methoxypropyl(methyl)amino]pyridine-4-carboxylic acid
CID 114288657
5-(ethylaminomethyl)-N-(3-methoxypropyl)-N,2-dimethylpyridin-4-amine
CID 81247424
4-[(4-methoxyphenyl)methyl-methylamino]-6-methylpyridine-3-carboxylic acid
CID 81229074
6-methyl-4-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carboxylic acid
CID 81233138
4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-6-methylpyridine-3-carboxylic acid
CID 81233163
5-chloro-2-[3-methoxypropyl(methyl)amino]benzoic acid
CID 63007718
4-(dipropylamino)-6-methylpyridine-3-carboxylic acid
CID 81233201
4-[2-ethoxyethyl(ethyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81244374
2-amino-3-[3-methoxypropyl(methyl)amino]benzoic acid
CID 115545998
4-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-6-methylpyridine-3-carboxamide
CID 81239796
6-methyl-4-[methyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 81232216

Frequently Asked Questions

What is the IUPAC name of 4-[3-methoxypropyl(methyl)amino]-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-[3-methoxypropyl(methyl)amino]-6-methylpyridine-3-carboxylic acid (CID 81244760) is 4-[3-methoxypropyl(methyl)amino]-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-[3-methoxypropyl(methyl)amino]-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-[3-methoxypropyl(methyl)amino]-6-methylpyridine-3-carboxylic acid is COCCCN(C)c1cc(C)ncc1C(=O)O.
What is the InChIKey of 4-[3-methoxypropyl(methyl)amino]-6-methylpyridine-3-carboxylic acid?
The InChIKey is VHGJHAXTGRKREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9-7-11(10(8-13-9)12(15)16)14(2)5-4-6-17-3/h7-8H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 4-[3-methoxypropyl(methyl)amino]-6-methylpyridine-3-carboxylic acid?
4-[3-methoxypropyl(methyl)amino]-6-methylpyridine-3-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methoxypropyl(methyl)amino]-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 81244760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).