2-(2-methoxypropylamino)-6-methylpyridine-3-carboxylic acid

C11H16N2O3 — CID 102700954

IUPAC2-(2-methoxypropylamino)-6-methylpyridine-3-carboxylic acid
SMILESCOC(C)CNc1nc(C)ccc1C(=O)O
InChIInChI=1S/C11H16N2O3/c1-7-4-5-9(11(14)15)10(13-7)12-6-8(2)16-3/h4-5,8H,6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyXDGFRBCMJIVDCF-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.54
Rot. Bonds5

About 2-(2-methoxypropylamino)-6-methylpyridine-3-carboxylic acid

2-(2-methoxypropylamino)-6-methylpyridine-3-carboxylic acid (PubChem CID 102700954) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(2-methoxypropylamino)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxypropylamino)-6-methylpyridine-3-carboxylic acid
PubChem CID102700954
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-(2-methoxypropylamino)-6-methylpyridine-3-carboxylic acid
SMILESCOC(C)CNc1nc(C)ccc1C(=O)O
InChIInChI=1S/C11H16N2O3/c1-7-4-5-9(11(14)15)10(13-7)12-6-8(2)16-3/h4-5,8H,6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyXDGFRBCMJIVDCF-UHFFFAOYSA-N
XLogP1.54
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-(2-phenylpropylamino)pyridine-3-carboxylic acid
CID 104592286
2-(2-methoxypropylamino)-6-methylpyridine-3-carboximidamide
CID 102698441
2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-3-carboxylic acid
CID 55107366
2-(1-hydroxypropan-2-ylamino)-6-methylpyridine-3-carboxylic acid
CID 63264614
2-(3-ethylpentan-2-ylamino)-6-methylpyridine-3-carboxylic acid
CID 63839654
2-butan-2-yloxy-6-methylpyridine-3-carboxylic acid
CID 62702093
6-methyl-2-(pent-3-ynylamino)pyridine-3-carboxylic acid
CID 116645397
6-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]pyridine-3-carboxamide
CID 115303139
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-6-methylpyridine-3-carboxylic acid
CID 115455529
2-[(4-bromophenyl)methylamino]-6-methylpyridine-3-carboxylic acid
CID 62711478
2-(2-cyclopentyloxyethylamino)-6-methylpyridine-3-carboxylic acid
CID 63834345
6-methyl-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid
CID 62710803

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypropylamino)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-(2-methoxypropylamino)-6-methylpyridine-3-carboxylic acid (CID 102700954) is 2-(2-methoxypropylamino)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-methoxypropylamino)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-methoxypropylamino)-6-methylpyridine-3-carboxylic acid is COC(C)CNc1nc(C)ccc1C(=O)O.
What is the InChIKey of 2-(2-methoxypropylamino)-6-methylpyridine-3-carboxylic acid?
The InChIKey is XDGFRBCMJIVDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7-4-5-9(11(14)15)10(13-7)12-6-8(2)16-3/h4-5,8H,6H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 2-(2-methoxypropylamino)-6-methylpyridine-3-carboxylic acid?
2-(2-methoxypropylamino)-6-methylpyridine-3-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropylamino)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 102700954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).