2-(4-propan-2-yloxybutylamino)pyridine-4-carboxylic acid

C13H20N2O3 — CID 106003867

IUPAC2-(4-propan-2-yloxybutylamino)pyridine-4-carboxylic acid
SMILESCC(C)OCCCCNc1cc(C(=O)O)ccn1
InChIInChI=1S/C13H20N2O3/c1-10(2)18-8-4-3-6-14-12-9-11(13(16)17)5-7-15-12/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyNEHIZIIFFHZOOI-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.40
Rot. Bonds8

About 2-(4-propan-2-yloxybutylamino)pyridine-4-carboxylic acid

2-(4-propan-2-yloxybutylamino)pyridine-4-carboxylic acid (PubChem CID 106003867) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(4-propan-2-yloxybutylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-propan-2-yloxybutylamino)pyridine-4-carboxylic acid
PubChem CID106003867
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-(4-propan-2-yloxybutylamino)pyridine-4-carboxylic acid
SMILESCC(C)OCCCCNc1cc(C(=O)O)ccn1
InChIInChI=1S/C13H20N2O3/c1-10(2)18-8-4-3-6-14-12-9-11(13(16)17)5-7-15-12/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyNEHIZIIFFHZOOI-UHFFFAOYSA-N
XLogP2.40
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-propan-2-yloxybutyl)-2-(propylamino)pyridine-4-carboxamide
CID 106015134
6-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid
CID 106003848
2-(4-hydroxypentylamino)pyridine-4-carboxylic acid
CID 106136491
2-(3-propoxypropylamino)pyridine-4-carboxylic acid
CID 82943913
2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
CID 106015146
2-(2-ethoxyethylamino)pyridine-4-carboxylic acid
CID 43591505
2-(4-propan-2-yloxybutylamino)-6-propylpyridine-4-carboxylic acid
CID 106003855
2-(2-hydroxyethylamino)pyridine-4-carboxylic acid
CID 53408816
1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethylamino]-4-pyridinyl]propan-1-one
CID 169158844
methyl 4-(4-propan-2-yloxybutylamino)pyrimidine-2-carboxylate
CID 106012538
4-(aminomethyl)-N-(3-propan-2-yloxypropyl)pyridin-2-amine
CID 69247459
2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 65035612

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yloxybutylamino)pyridine-4-carboxylic acid?
The IUPAC name of 2-(4-propan-2-yloxybutylamino)pyridine-4-carboxylic acid (CID 106003867) is 2-(4-propan-2-yloxybutylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(4-propan-2-yloxybutylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(4-propan-2-yloxybutylamino)pyridine-4-carboxylic acid is CC(C)OCCCCNc1cc(C(=O)O)ccn1.
What is the InChIKey of 2-(4-propan-2-yloxybutylamino)pyridine-4-carboxylic acid?
The InChIKey is NEHIZIIFFHZOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10(2)18-8-4-3-6-14-12-9-11(13(16)17)5-7-15-12/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-(4-propan-2-yloxybutylamino)pyridine-4-carboxylic acid?
2-(4-propan-2-yloxybutylamino)pyridine-4-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yloxybutylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 106003867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).