3-N,3-N-dihydroxy-2-N-[3-(1-methylpiperidin-1-ium-1-yl)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine

C16H26N5O2+ — CID 89138490

IUPAC3-N,3-N-dihydroxy-2-N-[3-(1-methylpiperidin-1-ium-1-yl)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine
SMILESC[N+]1(CCCNc2nn3ccccc3c2N(O)O)CCCCC1
InChIInChI=1S/C16H26N5O2/c1-21(11-5-2-6-12-21)13-7-9-17-16-15(20(22)23)14-8-3-4-10-19(14)18-16/h3-4,8,10,22-23H,2,5-7,9,11-13H2,1H3,(H,17,18)/q+1
InChIKeyHZRIDVJOKCFHKA-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.35
Rot. Bonds6

About 3-N,3-N-dihydroxy-2-N-[3-(1-methylpiperidin-1-ium-1-yl)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine

3-N,3-N-dihydroxy-2-N-[3-(1-methylpiperidin-1-ium-1-yl)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine (PubChem CID 89138490) has the molecular formula C16H26N5O2+ and a molecular weight of 320.42 g/mol. Its IUPAC name is 3-N,3-N-dihydroxy-2-N-[3-(1-methylpiperidin-1-ium-1-yl)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dihydroxy-2-N-[3-(1-methylpiperidin-1-ium-1-yl)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine
PubChem CID89138490
Molecular FormulaC16H26N5O2+
Molecular Weight320.42 g/mol
Exact Mass320.21
IUPAC Name3-N,3-N-dihydroxy-2-N-[3-(1-methylpiperidin-1-ium-1-yl)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine
SMILESC[N+]1(CCCNc2nn3ccccc3c2N(O)O)CCCCC1
InChIInChI=1S/C16H26N5O2/c1-21(11-5-2-6-12-21)13-7-9-17-16-15(20(22)23)14-8-3-4-10-19(14)18-16/h3-4,8,10,22-23H,2,5-7,9,11-13H2,1H3,(H,17,18)/q+1
InChIKeyHZRIDVJOKCFHKA-UHFFFAOYSA-N
XLogP2.35
TPSA73.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dihydroxy-2-N-[3-(1-methylpiperidin-1-ium-1-yl)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine?
The IUPAC name of 3-N,3-N-dihydroxy-2-N-[3-(1-methylpiperidin-1-ium-1-yl)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine (CID 89138490) is 3-N,3-N-dihydroxy-2-N-[3-(1-methylpiperidin-1-ium-1-yl)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine.
What is the SMILES notation for 3-N,3-N-dihydroxy-2-N-[3-(1-methylpiperidin-1-ium-1-yl)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine?
The canonical SMILES for 3-N,3-N-dihydroxy-2-N-[3-(1-methylpiperidin-1-ium-1-yl)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine is C[N+]1(CCCNc2nn3ccccc3c2N(O)O)CCCCC1.
What is the InChIKey of 3-N,3-N-dihydroxy-2-N-[3-(1-methylpiperidin-1-ium-1-yl)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine?
The InChIKey is HZRIDVJOKCFHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N5O2/c1-21(11-5-2-6-12-21)13-7-9-17-16-15(20(22)23)14-8-3-4-10-19(14)18-16/h3-4,8,10,22-23H,2,5-7,9,11-13H2,1H3,(H,17,18)/q+1.
What are the key properties of 3-N,3-N-dihydroxy-2-N-[3-(1-methylpiperidin-1-ium-1-yl)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine?
3-N,3-N-dihydroxy-2-N-[3-(1-methylpiperidin-1-ium-1-yl)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine has a molecular weight of 320.42 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dihydroxy-2-N-[3-(1-methylpiperidin-1-ium-1-yl)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine is sourced from PubChem (CID 89138490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).