6-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]pyridine-2-carboxylic acid

C17H20N2O4 — CID 122053851

IUPAC6-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]pyridine-2-carboxylic acid
SMILESCC(C)Oc1ccc(C(O)CNc2cccc(C(=O)O)n2)cc1
InChIInChI=1S/C17H20N2O4/c1-11(2)23-13-8-6-12(7-9-13)15(20)10-18-16-5-3-4-14(19-16)17(21)22/h3-9,11,15,20H,10H2,1-2H3,(H,18,19)(H,21,22)
InChIKeyOUMNMPJMHWBZLH-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.71
Rot. Bonds7

About 6-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]pyridine-2-carboxylic acid

6-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]pyridine-2-carboxylic acid (PubChem CID 122053851) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 6-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]pyridine-2-carboxylic acid
PubChem CID122053851
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name6-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]pyridine-2-carboxylic acid
SMILESCC(C)Oc1ccc(C(O)CNc2cccc(C(=O)O)n2)cc1
InChIInChI=1S/C17H20N2O4/c1-11(2)23-13-8-6-12(7-9-13)15(20)10-18-16-5-3-4-14(19-16)17(21)22/h3-9,11,15,20H,10H2,1-2H3,(H,18,19)(H,21,22)
InChIKeyOUMNMPJMHWBZLH-UHFFFAOYSA-N
XLogP2.71
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[2-(4-methoxyphenoxy)propylamino]pyridine-2-carboxylic acid
CID 122048336
6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-2-carboxylic acid
CID 114188591
2-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid
CID 82314145
6-[(4-hydroxy-2-methylbutyl)amino]pyridine-2-carboxylic acid
CID 66107956
1-(4-chlorophenyl)-2-(4-propan-2-yloxyanilino)ethanol
CID 60902136
6-(3-propan-2-yloxypropylamino)pyridine-2-carboxylic acid
CID 122052680
6-[(3-hydroxy-2,2,4-trimethylpentyl)amino]pyridine-2-carboxylic acid
CID 122049018
(5S)-5-hydroxy-5-(4-propan-2-yloxyphenyl)pentanoic acid
CID 28945621
5-tert-butyl-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 111477679
6-[[4-methyl-2-(1-phenylethylamino)pentyl]amino]pyridine-2-carboxylic acid
CID 122053761
2-[(5-chloropyrimidin-2-yl)amino]-1-(4-propan-2-yloxyphenyl)ethanol
CID 122145460
(1S)-2-[(5-chloropyrimidin-2-yl)amino]-1-(4-propan-2-yloxyphenyl)ethanol
CID 125130843

Frequently Asked Questions

What is the IUPAC name of 6-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]pyridine-2-carboxylic acid (CID 122053851) is 6-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]pyridine-2-carboxylic acid is CC(C)Oc1ccc(C(O)CNc2cccc(C(=O)O)n2)cc1.
What is the InChIKey of 6-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]pyridine-2-carboxylic acid?
The InChIKey is OUMNMPJMHWBZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-11(2)23-13-8-6-12(7-9-13)15(20)10-18-16-5-3-4-14(19-16)17(21)22/h3-9,11,15,20H,10H2,1-2H3,(H,18,19)(H,21,22).
What are the key properties of 6-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]pyridine-2-carboxylic acid?
6-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]pyridine-2-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 2.71, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122053851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).