4-(3-piperazin-1-ylpropylamino)pyridine-3-carboxylic acid

C13H20N4O2 — CID 81232397

IUPAC4-(3-piperazin-1-ylpropylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1NCCCN1CCNCC1
InChIInChI=1S/C13H20N4O2/c18-13(19)11-10-15-4-2-12(11)16-3-1-7-17-8-5-14-6-9-17/h2,4,10,14H,1,3,5-9H2,(H,15,16)(H,18,19)
InChIKeyNCRITEXRUSFFEL-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.49
Rot. Bonds6

About 4-(3-piperazin-1-ylpropylamino)pyridine-3-carboxylic acid

4-(3-piperazin-1-ylpropylamino)pyridine-3-carboxylic acid (PubChem CID 81232397) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-(3-piperazin-1-ylpropylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-piperazin-1-ylpropylamino)pyridine-3-carboxylic acid
PubChem CID81232397
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name4-(3-piperazin-1-ylpropylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1NCCCN1CCNCC1
InChIInChI=1S/C13H20N4O2/c18-13(19)11-10-15-4-2-12(11)16-3-1-7-17-8-5-14-6-9-17/h2,4,10,14H,1,3,5-9H2,(H,15,16)(H,18,19)
InChIKeyNCRITEXRUSFFEL-UHFFFAOYSA-N
XLogP0.49
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-nitro-N-(3-piperazin-1-ylpropyl)pyridin-4-amine
CID 43443436
4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-3-carboxylic acid
CID 114537300
4-(3-methylsulfonylpropylamino)pyridine-3-carboxylic acid
CID 81244164
4-(4-hydroxypentylamino)pyridine-3-carboxylic acid
CID 106136496
4-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid
CID 81233404
4-[3-(diethylamino)propylamino]pyridine-3-carboxylic acid
CID 81233296
4-(2,2-dimethylpropylamino)pyridine-3-carboxylic acid
CID 81233154
4-(2-piperazin-1-ylethylamino)pyrimidine-5-carboxylic acid
CID 114214142
N-(3-piperazin-1-ylpropyl)quinolin-4-amine
CID 61339738
4-(2,2-difluoropropylamino)pyridine-3-carboxylic acid
CID 164651998
4-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carboxylic acid
CID 81243550
4-(propylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 81240630

Frequently Asked Questions

What is the IUPAC name of 4-(3-piperazin-1-ylpropylamino)pyridine-3-carboxylic acid?
The IUPAC name of 4-(3-piperazin-1-ylpropylamino)pyridine-3-carboxylic acid (CID 81232397) is 4-(3-piperazin-1-ylpropylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(3-piperazin-1-ylpropylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(3-piperazin-1-ylpropylamino)pyridine-3-carboxylic acid is O=C(O)c1cnccc1NCCCN1CCNCC1.
What is the InChIKey of 4-(3-piperazin-1-ylpropylamino)pyridine-3-carboxylic acid?
The InChIKey is NCRITEXRUSFFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c18-13(19)11-10-15-4-2-12(11)16-3-1-7-17-8-5-14-6-9-17/h2,4,10,14H,1,3,5-9H2,(H,15,16)(H,18,19).
What are the key properties of 4-(3-piperazin-1-ylpropylamino)pyridine-3-carboxylic acid?
4-(3-piperazin-1-ylpropylamino)pyridine-3-carboxylic acid has a molecular weight of 264.33 g/mol, XLogP of 0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-piperazin-1-ylpropylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 81232397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).