2-[2-hydroxypropyl(methyl)amino]-6-propylpyridine-4-carboxylic acid

C13H20N2O3 — CID 113380241

IUPAC2-[2-hydroxypropyl(methyl)amino]-6-propylpyridine-4-carboxylic acid
SMILESCCCc1cc(C(=O)O)cc(N(C)CC(C)O)n1
InChIInChI=1S/C13H20N2O3/c1-4-5-11-6-10(13(17)18)7-12(14-11)15(3)8-9(2)16/h6-7,9,16H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyPKOIPEDMWPYMPH-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.55
Rot. Bonds6

About 2-[2-hydroxypropyl(methyl)amino]-6-propylpyridine-4-carboxylic acid

2-[2-hydroxypropyl(methyl)amino]-6-propylpyridine-4-carboxylic acid (PubChem CID 113380241) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[2-hydroxypropyl(methyl)amino]-6-propylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-hydroxypropyl(methyl)amino]-6-propylpyridine-4-carboxylic acid
PubChem CID113380241
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[2-hydroxypropyl(methyl)amino]-6-propylpyridine-4-carboxylic acid
SMILESCCCc1cc(C(=O)O)cc(N(C)CC(C)O)n1
InChIInChI=1S/C13H20N2O3/c1-4-5-11-6-10(13(17)18)7-12(14-11)15(3)8-9(2)16/h6-7,9,16H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyPKOIPEDMWPYMPH-UHFFFAOYSA-N
XLogP1.55
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxypropyl(methyl)amino]-6-propylpyridine-4-carboxylic acid?
The IUPAC name of 2-[2-hydroxypropyl(methyl)amino]-6-propylpyridine-4-carboxylic acid (CID 113380241) is 2-[2-hydroxypropyl(methyl)amino]-6-propylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-hydroxypropyl(methyl)amino]-6-propylpyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-hydroxypropyl(methyl)amino]-6-propylpyridine-4-carboxylic acid is CCCc1cc(C(=O)O)cc(N(C)CC(C)O)n1.
What is the InChIKey of 2-[2-hydroxypropyl(methyl)amino]-6-propylpyridine-4-carboxylic acid?
The InChIKey is PKOIPEDMWPYMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-5-11-6-10(13(17)18)7-12(14-11)15(3)8-9(2)16/h6-7,9,16H,4-5,8H2,1-3H3,(H,17,18).
What are the key properties of 2-[2-hydroxypropyl(methyl)amino]-6-propylpyridine-4-carboxylic acid?
2-[2-hydroxypropyl(methyl)amino]-6-propylpyridine-4-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxypropyl(methyl)amino]-6-propylpyridine-4-carboxylic acid is sourced from PubChem (CID 113380241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).