6-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]pyridine-2-carboxylic acid

C13H20N2O3 — CID 106904538

IUPAC6-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]pyridine-2-carboxylic acid
SMILESCC(C)CC(CO)NCc1cccc(C(=O)O)n1
InChIInChI=1S/C13H20N2O3/c1-9(2)6-11(8-16)14-7-10-4-3-5-12(15-10)13(17)18/h3-5,9,11,14,16H,6-8H2,1-2H3,(H,17,18)
InChIKeyHGPQUCPMMSEYPT-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.28
Rot. Bonds7

About 6-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]pyridine-2-carboxylic acid

6-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 106904538) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 6-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID106904538
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name6-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]pyridine-2-carboxylic acid
SMILESCC(C)CC(CO)NCc1cccc(C(=O)O)n1
InChIInChI=1S/C13H20N2O3/c1-9(2)6-11(8-16)14-7-10-4-3-5-12(15-10)13(17)18/h3-5,9,11,14,16H,6-8H2,1-2H3,(H,17,18)
InChIKeyHGPQUCPMMSEYPT-UHFFFAOYSA-N
XLogP1.28
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3-hydroxybutylamino)methyl]pyridine-2-carboxylic acid
CID 106904745
6-[[(4-amino-4-oxobutan-2-yl)amino]methyl]pyridine-2-carboxylic acid
CID 106905000
6-[[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]methyl]pyridine-2-carboxylic acid
CID 106904908
6-[(1-thiophen-2-ylethylamino)methyl]pyridine-2-carboxylic acid
CID 106904477
6-[[[(1S)-1-(3-chlorophenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904845
6-[[1-(4-bromophenyl)ethylamino]methyl]pyridine-2-carboxylic acid
CID 106904588
ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid
CID 166148097
6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904831
6-[(1-cyclohexylethylamino)methyl]pyridine-2-carboxylic acid
CID 106904668
6-[[2-(carbamoylamino)ethylamino]methyl]pyridine-2-carboxylic acid
CID 106904907
(2S)-2-(benzylamino)-4-methylpentan-1-ol
CID 11298719
6-[[(2-ethyl-4-hydroxybutyl)amino]methyl]pyridine-2-carboxylic acid
CID 106904840

Frequently Asked Questions

What is the IUPAC name of 6-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]pyridine-2-carboxylic acid (CID 106904538) is 6-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]pyridine-2-carboxylic acid is CC(C)CC(CO)NCc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is HGPQUCPMMSEYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9(2)6-11(8-16)14-7-10-4-3-5-12(15-10)13(17)18/h3-5,9,11,14,16H,6-8H2,1-2H3,(H,17,18).
What are the key properties of 6-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]pyridine-2-carboxylic acid?
6-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 1.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106904538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).