6-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]pyridine-2-carboxylic acid

C13H21N3O3 — CID 114150255

IUPAC6-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]pyridine-2-carboxylic acid
SMILESCN(C)CC(C)(O)CNCc1cccc(C(=O)O)n1
InChIInChI=1S/C13H21N3O3/c1-13(19,9-16(2)3)8-14-7-10-5-4-6-11(15-10)12(17)18/h4-6,14,19H,7-9H2,1-3H3,(H,17,18)
InChIKeyVVACVIDZWHPIMD-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.18
Rot. Bonds7

About 6-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]pyridine-2-carboxylic acid

6-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]pyridine-2-carboxylic acid (PubChem CID 114150255) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 6-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]pyridine-2-carboxylic acid
PubChem CID114150255
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name6-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]pyridine-2-carboxylic acid
SMILESCN(C)CC(C)(O)CNCc1cccc(C(=O)O)n1
InChIInChI=1S/C13H21N3O3/c1-13(19,9-16(2)3)8-14-7-10-5-4-6-11(15-10)12(17)18/h4-6,14,19H,7-9H2,1-3H3,(H,17,18)
InChIKeyVVACVIDZWHPIMD-UHFFFAOYSA-N
XLogP0.18
TPSA85.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]pyridine-2-carboxylic acid
CID 114163806
6-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]pyridine-2-carboxylic acid
CID 106904961
6-[[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]methyl]pyridine-2-carboxylic acid
CID 106278506
1-(dimethylamino)-2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol
CID 106145720
6-[(2,2,3,3-tetrafluoropropylamino)methyl]pyridine-2-carboxylic acid
CID 114169680
6-[(but-2-ynylamino)methyl]pyridine-2-carboxylic acid
CID 106904962
ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid
CID 166148097
6-[[4-(dimethylamino)anilino]methyl]pyridine-2-carboxylic acid
CID 106904488
6-[(2-ethylbutylamino)methyl]pyridine-2-carboxylic acid
CID 106904993
6-[(3-methylbut-2-enylamino)methyl]pyridine-2-carboxylic acid
CID 106190462
6-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]pyridine-2-carboxylic acid
CID 106178072
6-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904472

Frequently Asked Questions

What is the IUPAC name of 6-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]pyridine-2-carboxylic acid (CID 114150255) is 6-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]pyridine-2-carboxylic acid is CN(C)CC(C)(O)CNCc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is VVACVIDZWHPIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-13(19,9-16(2)3)8-14-7-10-5-4-6-11(15-10)12(17)18/h4-6,14,19H,7-9H2,1-3H3,(H,17,18).
What are the key properties of 6-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]pyridine-2-carboxylic acid?
6-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 267.33 g/mol, XLogP of 0.18, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 114150255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).