6-[(3-hydroxy-2,2,4-trimethylpentyl)amino]pyridine-2-carboxylic acid

C14H22N2O3 — CID 122049018

IUPAC6-[(3-hydroxy-2,2,4-trimethylpentyl)amino]pyridine-2-carboxylic acid
SMILESCC(C)C(O)C(C)(C)CNc1cccc(C(=O)O)n1
InChIInChI=1S/C14H22N2O3/c1-9(2)12(17)14(3,4)8-15-11-7-5-6-10(16-11)13(18)19/h5-7,9,12,17H,8H2,1-4H3,(H,15,16)(H,18,19)
InChIKeyXJGSKCWQNQZWMB-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.23
Rot. Bonds6

About 6-[(3-hydroxy-2,2,4-trimethylpentyl)amino]pyridine-2-carboxylic acid

6-[(3-hydroxy-2,2,4-trimethylpentyl)amino]pyridine-2-carboxylic acid (PubChem CID 122049018) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-[(3-hydroxy-2,2,4-trimethylpentyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(3-hydroxy-2,2,4-trimethylpentyl)amino]pyridine-2-carboxylic acid
PubChem CID122049018
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name6-[(3-hydroxy-2,2,4-trimethylpentyl)amino]pyridine-2-carboxylic acid
SMILESCC(C)C(O)C(C)(C)CNc1cccc(C(=O)O)n1
InChIInChI=1S/C14H22N2O3/c1-9(2)12(17)14(3,4)8-15-11-7-5-6-10(16-11)13(18)19/h5-7,9,12,17H,8H2,1-4H3,(H,15,16)(H,18,19)
InChIKeyXJGSKCWQNQZWMB-UHFFFAOYSA-N
XLogP2.23
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-methoxy-2-methylbutyl)amino]pyridine-2-carboxylic acid
CID 122057914
6-[(4-hydroxy-2-methylbutyl)amino]pyridine-2-carboxylic acid
CID 66107956
6-(3-methylpentan-2-ylamino)pyridine-2-carboxylic acid
CID 62240571
6-(4-hydroxyhexylamino)pyridine-2-carboxylic acid
CID 122053976
6-[(5-hydroxy-3-methylpentyl)amino]pyridine-2-carboxylic acid
CID 122057794
6-(2,4,4-trimethylpentan-2-ylamino)pyridine-2-carboxylic acid
CID 62240234
6-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-2-carboxylic acid
CID 122054050
6-(3-propan-2-yloxypropylamino)pyridine-2-carboxylic acid
CID 122052680
6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carboxylic acid
CID 106247946
6-[2-(4-methoxyphenoxy)propylamino]pyridine-2-carboxylic acid
CID 122048336
6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 62238876
6-(pentan-3-ylamino)pyridine-2-carboxylic acid
CID 62253565

Frequently Asked Questions

What is the IUPAC name of 6-[(3-hydroxy-2,2,4-trimethylpentyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(3-hydroxy-2,2,4-trimethylpentyl)amino]pyridine-2-carboxylic acid (CID 122049018) is 6-[(3-hydroxy-2,2,4-trimethylpentyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(3-hydroxy-2,2,4-trimethylpentyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(3-hydroxy-2,2,4-trimethylpentyl)amino]pyridine-2-carboxylic acid is CC(C)C(O)C(C)(C)CNc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[(3-hydroxy-2,2,4-trimethylpentyl)amino]pyridine-2-carboxylic acid?
The InChIKey is XJGSKCWQNQZWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9(2)12(17)14(3,4)8-15-11-7-5-6-10(16-11)13(18)19/h5-7,9,12,17H,8H2,1-4H3,(H,15,16)(H,18,19).
What are the key properties of 6-[(3-hydroxy-2,2,4-trimethylpentyl)amino]pyridine-2-carboxylic acid?
6-[(3-hydroxy-2,2,4-trimethylpentyl)amino]pyridine-2-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 2.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-hydroxy-2,2,4-trimethylpentyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122049018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).