5-(3-propoxypropylamino)pyridine-2-carboxylic acid

C12H18N2O3 — CID 82947168

IUPAC5-(3-propoxypropylamino)pyridine-2-carboxylic acid
SMILESCCCOCCCNc1ccc(C(=O)O)nc1
InChIInChI=1S/C12H18N2O3/c1-2-7-17-8-3-6-13-10-4-5-11(12(15)16)14-9-10/h4-5,9,13H,2-3,6-8H2,1H3,(H,15,16)
InChIKeyLTOVWXIDWPLQPK-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.01
Rot. Bonds8

About 5-(3-propoxypropylamino)pyridine-2-carboxylic acid

5-(3-propoxypropylamino)pyridine-2-carboxylic acid (PubChem CID 82947168) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-(3-propoxypropylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-propoxypropylamino)pyridine-2-carboxylic acid
PubChem CID82947168
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name5-(3-propoxypropylamino)pyridine-2-carboxylic acid
SMILESCCCOCCCNc1ccc(C(=O)O)nc1
InChIInChI=1S/C12H18N2O3/c1-2-7-17-8-3-6-13-10-4-5-11(12(15)16)14-9-10/h4-5,9,13H,2-3,6-8H2,1H3,(H,15,16)
InChIKeyLTOVWXIDWPLQPK-UHFFFAOYSA-N
XLogP2.01
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-propoxyacetyl)amino]pyridine-2-carboxylic acid
CID 107938243
5-(3-hydroxypropylamino)pyridine-2-carboxylic acid
CID 115490634
5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid
CID 115490932
2-(3-propoxypropylamino)pyrimidine-4-carboxylic acid
CID 107554293
5-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-2-carboxylic acid
CID 114468082
5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]pyridine-2-carboxylic acid
CID 114518085
5-(2-carbamoyloxyethylamino)pyridine-2-carboxylic acid
CID 104638978
4-methyl-2-(3-propoxypropylamino)pyridine-3-carboxylic acid
CID 82947512
N-(3-methoxypropyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109184195
5-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid
CID 115490708
5-(2-methylsulfonylethylamino)pyridine-2-carboxylic acid
CID 115490610
2-(3-butoxypropylamino)pyrimidine-4-carboxylic acid
CID 107554394

Frequently Asked Questions

What is the IUPAC name of 5-(3-propoxypropylamino)pyridine-2-carboxylic acid?
The IUPAC name of 5-(3-propoxypropylamino)pyridine-2-carboxylic acid (CID 82947168) is 5-(3-propoxypropylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(3-propoxypropylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(3-propoxypropylamino)pyridine-2-carboxylic acid is CCCOCCCNc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-(3-propoxypropylamino)pyridine-2-carboxylic acid?
The InChIKey is LTOVWXIDWPLQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-7-17-8-3-6-13-10-4-5-11(12(15)16)14-9-10/h4-5,9,13H,2-3,6-8H2,1H3,(H,15,16).
What are the key properties of 5-(3-propoxypropylamino)pyridine-2-carboxylic acid?
5-(3-propoxypropylamino)pyridine-2-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-propoxypropylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 82947168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).