6-[(2-methoxy-2-methylbutyl)amino]pyridine-2-carboxylic acid

C12H18N2O3 — CID 122057914

IUPAC6-[(2-methoxy-2-methylbutyl)amino]pyridine-2-carboxylic acid
SMILESCCC(C)(CNc1cccc(C(=O)O)n1)OC
InChIInChI=1S/C12H18N2O3/c1-4-12(2,17-3)8-13-10-7-5-6-9(14-10)11(15)16/h5-7H,4,8H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyCYKJNIWFUDMGKI-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.01
Rot. Bonds6

About 6-[(2-methoxy-2-methylbutyl)amino]pyridine-2-carboxylic acid

6-[(2-methoxy-2-methylbutyl)amino]pyridine-2-carboxylic acid (PubChem CID 122057914) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-[(2-methoxy-2-methylbutyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-methoxy-2-methylbutyl)amino]pyridine-2-carboxylic acid
PubChem CID122057914
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name6-[(2-methoxy-2-methylbutyl)amino]pyridine-2-carboxylic acid
SMILESCCC(C)(CNc1cccc(C(=O)O)n1)OC
InChIInChI=1S/C12H18N2O3/c1-4-12(2,17-3)8-13-10-7-5-6-9(14-10)11(15)16/h5-7H,4,8H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyCYKJNIWFUDMGKI-UHFFFAOYSA-N
XLogP2.01
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3-hydroxy-2,2,4-trimethylpentyl)amino]pyridine-2-carboxylic acid
CID 122049018
6-[2-(4-methoxyphenoxy)propylamino]pyridine-2-carboxylic acid
CID 122048336
6-[[2-(ethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 62238851
6-(3-methylpentan-2-ylamino)pyridine-2-carboxylic acid
CID 62240571
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-(ethylamino)-N-(2-methoxy-2-methylpropyl)pyridine-2-carboxamide
CID 104765646
6-(3-propan-2-yloxypropylamino)pyridine-2-carboxylic acid
CID 122052680
6-[(4-hydroxy-2-methylbutyl)amino]pyridine-2-carboxylic acid
CID 66107956
6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carboxylic acid
CID 106247946
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-[(2-methoxy-2-methylbutyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2-methoxy-2-methylbutyl)amino]pyridine-2-carboxylic acid (CID 122057914) is 6-[(2-methoxy-2-methylbutyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2-methoxy-2-methylbutyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2-methoxy-2-methylbutyl)amino]pyridine-2-carboxylic acid is CCC(C)(CNc1cccc(C(=O)O)n1)OC.
What is the InChIKey of 6-[(2-methoxy-2-methylbutyl)amino]pyridine-2-carboxylic acid?
The InChIKey is CYKJNIWFUDMGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-4-12(2,17-3)8-13-10-7-5-6-9(14-10)11(15)16/h5-7H,4,8H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 6-[(2-methoxy-2-methylbutyl)amino]pyridine-2-carboxylic acid?
6-[(2-methoxy-2-methylbutyl)amino]pyridine-2-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methoxy-2-methylbutyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122057914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).