5-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pyridine-2-carboxylic acid

C12H18N2O4 — CID 106256960

IUPAC5-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pyridine-2-carboxylic acid
SMILESCOCCC(C)(O)CNc1ccc(C(=O)O)nc1
InChIInChI=1S/C12H18N2O4/c1-12(17,5-6-18-2)8-14-9-3-4-10(11(15)16)13-7-9/h3-4,7,14,17H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyDVIOJPDDFOYQNX-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.98
Rot. Bonds7

About 5-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pyridine-2-carboxylic acid

5-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pyridine-2-carboxylic acid (PubChem CID 106256960) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pyridine-2-carboxylic acid
PubChem CID106256960
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name5-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pyridine-2-carboxylic acid
SMILESCOCCC(C)(O)CNc1ccc(C(=O)O)nc1
InChIInChI=1S/C12H18N2O4/c1-12(17,5-6-18-2)8-14-9-3-4-10(11(15)16)13-7-9/h3-4,7,14,17H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyDVIOJPDDFOYQNX-UHFFFAOYSA-N
XLogP0.98
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-2-methyl-1-[4-(trifluoromethyl)anilino]butan-2-ol
CID 106254298
methyl 5-(2,2,2-trifluoroethylamino)pyridine-2-carboxylate
CID 66802732
5-(2-carbamoyloxyethylamino)pyridine-2-carboxylic acid
CID 104638978
N-(2-hydroxy-4-methoxy-2-methylbutyl)-1H-pyrazole-4-carboxamide
CID 103712317
5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid
CID 115490932
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-4-methylbenzoic acid
CID 114165013
5-acetamidopyridine-2-carboxylic acid
CID 5278292
5-(3-propoxypropylamino)pyridine-2-carboxylic acid
CID 82947168
5-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-2-carboxylic acid
CID 114468082
5-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid
CID 104638701
4-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-2-carboxamide
CID 103712367
methyl 2-amino-5-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-3-methylbenzoate
CID 106250848

Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pyridine-2-carboxylic acid (CID 106256960) is 5-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pyridine-2-carboxylic acid is COCCC(C)(O)CNc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pyridine-2-carboxylic acid?
The InChIKey is DVIOJPDDFOYQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-12(17,5-6-18-2)8-14-9-3-4-10(11(15)16)13-7-9/h3-4,7,14,17H,5-6,8H2,1-2H3,(H,15,16).
What are the key properties of 5-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pyridine-2-carboxylic acid?
5-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pyridine-2-carboxylic acid has a molecular weight of 254.29 g/mol, XLogP of 0.98, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 106256960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).