6-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid

C13H20N2O3 — CID 106003848

IUPAC6-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid
SMILESCC(C)OCCCCNc1ccc(C(=O)O)cn1
InChIInChI=1S/C13H20N2O3/c1-10(2)18-8-4-3-7-14-12-6-5-11(9-15-12)13(16)17/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyKZANPZFLSUGHQY-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.40
Rot. Bonds8

About 6-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid

6-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid (PubChem CID 106003848) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 6-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid
PubChem CID106003848
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name6-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid
SMILESCC(C)OCCCCNc1ccc(C(=O)O)cn1
InChIInChI=1S/C13H20N2O3/c1-10(2)18-8-4-3-7-14-12-6-5-11(9-15-12)13(16)17/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyKZANPZFLSUGHQY-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

2-(4-propan-2-yloxybutylamino)pyridine-4-carboxylic acid
CID 106003867
6-(4-methylpentylamino)pyridine-3-carboxylic acid
CID 63002439
6-(nonylamino)pyridine-3-carboxylic acid
CID 20503604
2-N-(4-propan-2-yloxybutyl)pyridine-2,5-diamine
CID 106006897
6-(3-propan-2-yloxypropylcarbamoyl)pyridine-3-carboxylic acid
CID 14210559
3-(4-propan-2-yloxybutylamino)pyridine-4-carboxylic acid
CID 114136276
6-(3-methoxypropylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109151323
6-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-3-carboxylic acid
CID 114468121
4-methyl-2-(4-propan-2-yloxybutylamino)pyrimidine-5-carboxylic acid
CID 106003890
2-(4-propan-2-yloxybutylamino)-6-propylpyridine-4-carboxylic acid
CID 106003855
2-(4-propan-2-yloxybutylamino)-1,3-thiazole-5-carboxylic acid
CID 106006404
5-fluoro-2-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid
CID 106003891

Frequently Asked Questions

What is the IUPAC name of 6-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid?
The IUPAC name of 6-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid (CID 106003848) is 6-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid is CC(C)OCCCCNc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid?
The InChIKey is KZANPZFLSUGHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10(2)18-8-4-3-7-14-12-6-5-11(9-15-12)13(16)17/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 6-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid?
6-(4-propan-2-yloxybutylamino)pyridine-3-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 6-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 106003848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).