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

C15H24N5+ — CID 57467852

IUPAC2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine
SMILESC[N+]1(CCNc2nn3ccccc3c2N)CCCCC1
InChIInChI=1S/C15H24N5/c1-20(10-5-2-6-11-20)12-8-17-15-14(16)13-7-3-4-9-19(13)18-15/h3-4,7,9H,2,5-6,8,10-12,16H2,1H3,(H,17,18)/q+1
InChIKeyNMMSFBYRHVOEJT-UHFFFAOYSA-N
MW274.39 g/mol
LogP1.96
Rot. Bonds4

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

2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine (PubChem CID 57467852) has the molecular formula C15H24N5+ and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine
PubChem CID57467852
Molecular FormulaC15H24N5+
Molecular Weight274.39 g/mol
Exact Mass274.20
IUPAC Name2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine
SMILESC[N+]1(CCNc2nn3ccccc3c2N)CCCCC1
InChIInChI=1S/C15H24N5/c1-20(10-5-2-6-11-20)12-8-17-15-14(16)13-7-3-4-9-19(13)18-15/h3-4,7,9H,2,5-6,8,10-12,16H2,1H3,(H,17,18)/q+1
InChIKeyNMMSFBYRHVOEJT-UHFFFAOYSA-N
XLogP1.96
TPSA55.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine?
The IUPAC name of 2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine (CID 57467852) is 2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine.
What is the SMILES notation for 2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine?
The canonical SMILES for 2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine is C[N+]1(CCNc2nn3ccccc3c2N)CCCCC1.
What is the InChIKey of 2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine?
The InChIKey is NMMSFBYRHVOEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N5/c1-20(10-5-2-6-11-20)12-8-17-15-14(16)13-7-3-4-9-19(13)18-15/h3-4,7,9H,2,5-6,8,10-12,16H2,1H3,(H,17,18)/q+1.
What are the key properties of 2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine?
2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine has a molecular weight of 274.39 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine is sourced from PubChem (CID 57467852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).