6-[2-(dimethylamino)ethyl-methylamino]-5-methylpyridine-3-carboxylic acid

C12H19N3O2 — CID 80630875

IUPAC6-[2-(dimethylamino)ethyl-methylamino]-5-methylpyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)cnc1N(C)CCN(C)C
InChIInChI=1S/C12H19N3O2/c1-9-7-10(12(16)17)8-13-11(9)15(4)6-5-14(2)3/h7-8H,5-6H2,1-4H3,(H,16,17)
InChIKeyMZFDVXANEKWFFO-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.09
Rot. Bonds5

About 6-[2-(dimethylamino)ethyl-methylamino]-5-methylpyridine-3-carboxylic acid

6-[2-(dimethylamino)ethyl-methylamino]-5-methylpyridine-3-carboxylic acid (PubChem CID 80630875) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethyl-methylamino]-5-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethyl-methylamino]-5-methylpyridine-3-carboxylic acid
PubChem CID80630875
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name6-[2-(dimethylamino)ethyl-methylamino]-5-methylpyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)cnc1N(C)CCN(C)C
InChIInChI=1S/C12H19N3O2/c1-9-7-10(12(16)17)8-13-11(9)15(4)6-5-14(2)3/h7-8H,5-6H2,1-4H3,(H,16,17)
InChIKeyMZFDVXANEKWFFO-UHFFFAOYSA-N
XLogP1.09
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethyl-methylamino]-5-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-[2-(dimethylamino)ethyl-methylamino]-5-methylpyridine-3-carboxylic acid (CID 80630875) is 6-[2-(dimethylamino)ethyl-methylamino]-5-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-(dimethylamino)ethyl-methylamino]-5-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-(dimethylamino)ethyl-methylamino]-5-methylpyridine-3-carboxylic acid is Cc1cc(C(=O)O)cnc1N(C)CCN(C)C.
What is the InChIKey of 6-[2-(dimethylamino)ethyl-methylamino]-5-methylpyridine-3-carboxylic acid?
The InChIKey is MZFDVXANEKWFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-7-10(12(16)17)8-13-11(9)15(4)6-5-14(2)3/h7-8H,5-6H2,1-4H3,(H,16,17).
What are the key properties of 6-[2-(dimethylamino)ethyl-methylamino]-5-methylpyridine-3-carboxylic acid?
6-[2-(dimethylamino)ethyl-methylamino]-5-methylpyridine-3-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 1.09, 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]-5-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 80630875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).