6-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboxylic acid

C12H19N3O2 — CID 106904183

IUPAC6-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboxylic acid
SMILESCN(C)CCN(C)Cc1cccc(C(=O)O)n1
InChIInChI=1S/C12H19N3O2/c1-14(2)7-8-15(3)9-10-5-4-6-11(13-10)12(16)17/h4-6H,7-9H2,1-3H3,(H,16,17)
InChIKeyZNMPLOAWHBPJGR-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.77
Rot. Bonds6

About 6-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboxylic acid

6-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboxylic acid (PubChem CID 106904183) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 6-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboxylic acid
PubChem CID106904183
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name6-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboxylic acid
SMILESCN(C)CCN(C)Cc1cccc(C(=O)O)n1
InChIInChI=1S/C12H19N3O2/c1-14(2)7-8-15(3)9-10-5-4-6-11(13-10)12(16)17/h4-6H,7-9H2,1-3H3,(H,16,17)
InChIKeyZNMPLOAWHBPJGR-UHFFFAOYSA-N
XLogP0.77
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904193
6-[[(4-fluorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 106904017
6-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904188
6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 106904019
6-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]pyridine-2-carboxylic acid
CID 74233804
6-[2-(dimethylamino)ethyl-methylamino]pyridine-2-carboxylic acid
CID 63700400
6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 106904043
6-[[cycloheptyl(methyl)amino]methyl]pyridine-2-carboxylic acid
CID 106903990
6-[[[3,5-bis[[bis[(6-carboxy-2-pyridinyl)methyl]amino]methyl]phenyl]methyl-[(6-carboxy-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylic acid
CID 122214816
6-(fluoromethyl)pyridine-2-carboxylic acid;iridium
CID 58621414
6-[[[6-[[bis[(6-carboxy-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methyl-[[6-(1-hydroxyethenyl)-2-pyridinyl]methyl]amino]methyl]pyridine-2-carboxylic acid
CID 164992352
6-(hydroxymethyl)pyridine-2-carboxylic acid;hydrochloride
CID 146675255

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboxylic acid (CID 106904183) is 6-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboxylic acid is CN(C)CCN(C)Cc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboxylic acid?
The InChIKey is ZNMPLOAWHBPJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-14(2)7-8-15(3)9-10-5-4-6-11(13-10)12(16)17/h4-6H,7-9H2,1-3H3,(H,16,17).
What are the key properties of 6-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboxylic acid?
6-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106904183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).