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

C11H17N3O2 — CID 63700400

IUPAC6-[2-(dimethylamino)ethyl-methylamino]pyridine-2-carboxylic acid
SMILESCN(C)CCN(C)c1cccc(C(=O)O)n1
InChIInChI=1S/C11H17N3O2/c1-13(2)7-8-14(3)10-6-4-5-9(12-10)11(15)16/h4-6H,7-8H2,1-3H3,(H,15,16)
InChIKeyTULATFSRHPXIFX-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.78
Rot. Bonds5

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

6-[2-(dimethylamino)ethyl-methylamino]pyridine-2-carboxylic acid (PubChem CID 63700400) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethyl-methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethyl-methylamino]pyridine-2-carboxylic acid
PubChem CID63700400
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name6-[2-(dimethylamino)ethyl-methylamino]pyridine-2-carboxylic acid
SMILESCN(C)CCN(C)c1cccc(C(=O)O)n1
InChIInChI=1S/C11H17N3O2/c1-13(2)7-8-14(3)10-6-4-5-9(12-10)11(15)16/h4-6H,7-8H2,1-3H3,(H,15,16)
InChIKeyTULATFSRHPXIFX-UHFFFAOYSA-N
XLogP0.78
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-methoxypropyl(methyl)amino]pyridine-2-carboxylic acid
CID 63009746
6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-2-carboxylic acid
CID 81055123
6-(dimethylamino)pyridine-2-carboxylic acid
CID 53408411
6-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 106904183
6-[[2-(dimethylamino)phenyl]methyl-methylamino]pyridine-2-carboxylic acid
CID 122057521
6-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]pyridine-2-carboxylic acid
CID 122053743
6-[2-ethoxyethyl(methyl)amino]pyridine-2-carboxamide
CID 173079352
6-(dimethylamino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 84575014
6-[ethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid
CID 62253963
CID 91986542
CID 91986542
6-[cyclopropylmethyl(propyl)amino]pyridine-2-carboxylic acid
CID 2415269
6-[2-methoxyethyl(pentan-3-yl)amino]pyridine-2-carboxylic acid
CID 55053038

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethyl-methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-(dimethylamino)ethyl-methylamino]pyridine-2-carboxylic acid (CID 63700400) is 6-[2-(dimethylamino)ethyl-methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-(dimethylamino)ethyl-methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-(dimethylamino)ethyl-methylamino]pyridine-2-carboxylic acid is CN(C)CCN(C)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-[2-(dimethylamino)ethyl-methylamino]pyridine-2-carboxylic acid?
The InChIKey is TULATFSRHPXIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-13(2)7-8-14(3)10-6-4-5-9(12-10)11(15)16/h4-6H,7-8H2,1-3H3,(H,15,16).
What are the key properties of 6-[2-(dimethylamino)ethyl-methylamino]pyridine-2-carboxylic acid?
6-[2-(dimethylamino)ethyl-methylamino]pyridine-2-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 0.78, 5 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]pyridine-2-carboxylic acid is sourced from PubChem (CID 63700400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).