4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid

C16H27N3O2 — CID 81036735

IUPAC4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(N(CCN(C)C)CC(C)C)c(C(=O)O)c(C)n1
InChIInChI=1S/C16H27N3O2/c1-11(2)10-19(8-7-18(5)6)14-9-12(3)17-13(4)15(14)16(20)21/h9,11H,7-8,10H2,1-6H3,(H,20,21)
InChIKeyJTHNGEIKBQGAPC-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.42
Rot. Bonds7

About 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid

4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid (PubChem CID 81036735) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
PubChem CID81036735
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(N(CCN(C)C)CC(C)C)c(C(=O)O)c(C)n1
InChIInChI=1S/C16H27N3O2/c1-11(2)10-19(8-7-18(5)6)14-9-12(3)17-13(4)15(14)16(20)21/h9,11H,7-8,10H2,1-6H3,(H,20,21)
InChIKeyJTHNGEIKBQGAPC-UHFFFAOYSA-N
XLogP2.42
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid (CID 81036735) is 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid is Cc1cc(N(CCN(C)C)CC(C)C)c(C(=O)O)c(C)n1.
What is the InChIKey of 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is JTHNGEIKBQGAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-11(2)10-19(8-7-18(5)6)14-9-12(3)17-13(4)15(14)16(20)21/h9,11H,7-8,10H2,1-6H3,(H,20,21).
What are the key properties of 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid?
4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 293.41 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 81036735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).