N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-2-(furan-3-yl)ethanamine

C14H14ClN3O — CID 166355584

IUPACN-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-2-(furan-3-yl)ethanamine
SMILESClc1ccc2ncc(CNCCc3ccoc3)n2c1
InChIInChI=1S/C14H14ClN3O/c15-12-1-2-14-17-8-13(18(14)9-12)7-16-5-3-11-4-6-19-10-11/h1-2,4,6,8-10,16H,3,5,7H2
InChIKeyCDALYJUZJXXAGU-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.91
Rot. Bonds5

About N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-2-(furan-3-yl)ethanamine

N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-2-(furan-3-yl)ethanamine (PubChem CID 166355584) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-2-(furan-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-2-(furan-3-yl)ethanamine
PubChem CID166355584
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC NameN-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-2-(furan-3-yl)ethanamine
SMILESClc1ccc2ncc(CNCCc3ccoc3)n2c1
InChIInChI=1S/C14H14ClN3O/c15-12-1-2-14-17-8-13(18(14)9-12)7-16-5-3-11-4-6-19-10-11/h1-2,4,6,8-10,16H,3,5,7H2
InChIKeyCDALYJUZJXXAGU-UHFFFAOYSA-N
XLogP2.91
TPSA42.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.91
H-Bond Donors ≤ 51
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 N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-2-(furan-3-yl)ethanamine?
The IUPAC name of N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-2-(furan-3-yl)ethanamine (CID 166355584) is N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-2-(furan-3-yl)ethanamine.
What is the SMILES notation for N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-2-(furan-3-yl)ethanamine?
The canonical SMILES for N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-2-(furan-3-yl)ethanamine is Clc1ccc2ncc(CNCCc3ccoc3)n2c1.
What is the InChIKey of N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-2-(furan-3-yl)ethanamine?
The InChIKey is CDALYJUZJXXAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c15-12-1-2-14-17-8-13(18(14)9-12)7-16-5-3-11-4-6-19-10-11/h1-2,4,6,8-10,16H,3,5,7H2.
What are the key properties of N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-2-(furan-3-yl)ethanamine?
N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-2-(furan-3-yl)ethanamine has a molecular weight of 275.74 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-2-(furan-3-yl)ethanamine is sourced from PubChem (CID 166355584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).