3-(3-aminopropylamino)pyridine-4-carboxylic acid

C9H13N3O2 — CID 83698744

IUPAC3-(3-aminopropylamino)pyridine-4-carboxylic acid
SMILESNCCCNc1cnccc1C(=O)O
InChIInChI=1S/C9H13N3O2/c10-3-1-4-12-8-6-11-5-2-7(8)9(13)14/h2,5-6,12H,1,3-4,10H2,(H,13,14)
InChIKeyHTUHSSXMDSGRQH-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.54
Rot. Bonds5

About 3-(3-aminopropylamino)pyridine-4-carboxylic acid

3-(3-aminopropylamino)pyridine-4-carboxylic acid (PubChem CID 83698744) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-(3-aminopropylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-aminopropylamino)pyridine-4-carboxylic acid
PubChem CID83698744
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3-(3-aminopropylamino)pyridine-4-carboxylic acid
SMILESNCCCNc1cnccc1C(=O)O
InChIInChI=1S/C9H13N3O2/c10-3-1-4-12-8-6-11-5-2-7(8)9(13)14/h2,5-6,12H,1,3-4,10H2,(H,13,14)
InChIKeyHTUHSSXMDSGRQH-UHFFFAOYSA-N
XLogP0.54
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropylamino)pyridine-4-carboxylic acid?
The IUPAC name of 3-(3-aminopropylamino)pyridine-4-carboxylic acid (CID 83698744) is 3-(3-aminopropylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(3-aminopropylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(3-aminopropylamino)pyridine-4-carboxylic acid is NCCCNc1cnccc1C(=O)O.
What is the InChIKey of 3-(3-aminopropylamino)pyridine-4-carboxylic acid?
The InChIKey is HTUHSSXMDSGRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c10-3-1-4-12-8-6-11-5-2-7(8)9(13)14/h2,5-6,12H,1,3-4,10H2,(H,13,14).
What are the key properties of 3-(3-aminopropylamino)pyridine-4-carboxylic acid?
3-(3-aminopropylamino)pyridine-4-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 83698744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).