2-(3-butoxypropylamino)pyridine-3-carboxylic acid

C13H20N2O3 — CID 82341813

IUPAC2-(3-butoxypropylamino)pyridine-3-carboxylic acid
SMILESCCCCOCCCNc1ncccc1C(=O)O
InChIInChI=1S/C13H20N2O3/c1-2-3-9-18-10-5-8-15-12-11(13(16)17)6-4-7-14-12/h4,6-7H,2-3,5,8-10H2,1H3,(H,14,15)(H,16,17)
InChIKeyHPDHQDSXPUGRQD-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.40
Rot. Bonds9

About 2-(3-butoxypropylamino)pyridine-3-carboxylic acid

2-(3-butoxypropylamino)pyridine-3-carboxylic acid (PubChem CID 82341813) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(3-butoxypropylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-butoxypropylamino)pyridine-3-carboxylic acid
PubChem CID82341813
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-(3-butoxypropylamino)pyridine-3-carboxylic acid
SMILESCCCCOCCCNc1ncccc1C(=O)O
InChIInChI=1S/C13H20N2O3/c1-2-3-9-18-10-5-8-15-12-11(13(16)17)6-4-7-14-12/h4,6-7H,2-3,5,8-10H2,1H3,(H,14,15)(H,16,17)
InChIKeyHPDHQDSXPUGRQD-UHFFFAOYSA-N
XLogP2.40
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
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'}

Analyze 2-(3-butoxypropylamino)pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(hexylamino)pyridine-3-carboxylic acid
CID 14222051
N-(3-propoxypropyl)-2-(propylamino)pyridine-3-carboxamide
CID 82946727
[2-(3-butoxypropylamino)-3-pyridinyl]methanol
CID 82341843
2-(3-butoxypropylamino)-6-chloropyridine-3-carboxylic acid
CID 113481133
2-(butylamino)pyridine-3-carboxamide
CID 29031037
2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxamide
CID 113362577
2-(3-propoxypropanoylamino)pyridine-3-carboxylic acid
CID 63651997
1-[2-(butylamino)-3-pyridinyl]pentan-1-one
CID 139998129
2-(3-phenylpropylamino)pyridine-3-carboxylic acid
CID 60654935
4-methyl-2-(3-propoxypropylamino)pyridine-3-carboxylic acid
CID 82947512
3-(2-butoxyethoxy)pyridine-2-carboxylic acid
CID 54958022
2-[2-(methanesulfonamido)ethylamino]pyridine-3-carboxylic acid
CID 43420764

Frequently Asked Questions

What is the IUPAC name of 2-(3-butoxypropylamino)pyridine-3-carboxylic acid?
The IUPAC name of 2-(3-butoxypropylamino)pyridine-3-carboxylic acid (CID 82341813) is 2-(3-butoxypropylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-butoxypropylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-butoxypropylamino)pyridine-3-carboxylic acid is CCCCOCCCNc1ncccc1C(=O)O.
What is the InChIKey of 2-(3-butoxypropylamino)pyridine-3-carboxylic acid?
The InChIKey is HPDHQDSXPUGRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-2-3-9-18-10-5-8-15-12-11(13(16)17)6-4-7-14-12/h4,6-7H,2-3,5,8-10H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-(3-butoxypropylamino)pyridine-3-carboxylic acid?
2-(3-butoxypropylamino)pyridine-3-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butoxypropylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 82341813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).