4-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-3-carboxylic acid

C11H16N2O3 — CID 104552262

IUPAC4-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(N(C)C(C)CO)c(C(=O)O)cn1
InChIInChI=1S/C11H16N2O3/c1-7-4-10(13(3)8(2)6-14)9(5-12-7)11(15)16/h4-5,8,14H,6H2,1-3H3,(H,15,16)
InChIKeyZSCVPKJZUHNUDJ-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.91
Rot. Bonds4

About 4-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-3-carboxylic acid

4-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-3-carboxylic acid (PubChem CID 104552262) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-3-carboxylic acid
PubChem CID104552262
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name4-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(N(C)C(C)CO)c(C(=O)O)cn1
InChIInChI=1S/C11H16N2O3/c1-7-4-10(13(3)8(2)6-14)9(5-12-7)11(15)16/h4-5,8,14H,6H2,1-3H3,(H,15,16)
InChIKeyZSCVPKJZUHNUDJ-UHFFFAOYSA-N
XLogP0.91
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dipropylamino)-6-methylpyridine-3-carboxylic acid
CID 81233201
4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-6-methylpyridine-3-carboxylic acid
CID 81233163
6-methyl-4-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carboxylic acid
CID 81233138
4-[cyclopentyl(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81244045
4-[3-(diethylamino)propyl-ethylamino]-6-methylpyridine-3-carboxylic acid
CID 102994015
4-[3-methoxypropyl(methyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81244760
4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid
CID 91225203
4-[2-ethoxyethyl(ethyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81244374
4,6-dimethylpyridine-3-carboxylic acid
CID 817290
6-methyl-4-[methyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 81232216
4-[ethyl(pyridin-4-ylmethyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81233499
6-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid
CID 81243730

Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-3-carboxylic acid (CID 104552262) is 4-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-3-carboxylic acid is Cc1cc(N(C)C(C)CO)c(C(=O)O)cn1.
What is the InChIKey of 4-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-3-carboxylic acid?
The InChIKey is ZSCVPKJZUHNUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7-4-10(13(3)8(2)6-14)9(5-12-7)11(15)16/h4-5,8,14H,6H2,1-3H3,(H,15,16).
What are the key properties of 4-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-3-carboxylic acid?
4-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-3-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 104552262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).