N-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide

C13H17N5O — CID 67261310

IUPACN-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(NCN1CCNCC1)c1cnc2ccccn12
InChIInChI=1S/C13H17N5O/c19-13(16-10-17-7-4-14-5-8-17)11-9-15-12-3-1-2-6-18(11)12/h1-3,6,9,14H,4-5,7-8,10H2,(H,16,19)
InChIKeyXYOJEYUPFXCJKC-UHFFFAOYSA-N
MW259.31 g/mol
LogP-0.07
Rot. Bonds3

About N-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide

N-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67261310) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67261310
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(NCN1CCNCC1)c1cnc2ccccn12
InChIInChI=1S/C13H17N5O/c19-13(16-10-17-7-4-14-5-8-17)11-9-15-12-3-1-2-6-18(11)12/h1-3,6,9,14H,4-5,7-8,10H2,(H,16,19)
InChIKeyXYOJEYUPFXCJKC-UHFFFAOYSA-N
XLogP-0.07
TPSA61.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 67261310) is N-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide is O=C(NCN1CCNCC1)c1cnc2ccccn12.
What is the InChIKey of N-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is XYOJEYUPFXCJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c19-13(16-10-17-7-4-14-5-8-17)11-9-15-12-3-1-2-6-18(11)12/h1-3,6,9,14H,4-5,7-8,10H2,(H,16,19).
What are the key properties of N-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide?
N-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67261310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).