N-[2-(1-hydroxycyclopentyl)ethyl]-2-imidazo[1,2-a]pyridin-3-yl-N-methylacetamide

C17H23N3O2 — CID 118772659

IUPACN-[2-(1-hydroxycyclopentyl)ethyl]-2-imidazo[1,2-a]pyridin-3-yl-N-methylacetamide
SMILESCN(CCC1(O)CCCC1)C(=O)Cc1cnc2ccccn12
InChIInChI=1S/C17H23N3O2/c1-19(11-9-17(22)7-3-4-8-17)16(21)12-14-13-18-15-6-2-5-10-20(14)15/h2,5-6,10,13,22H,3-4,7-9,11-12H2,1H3
InChIKeyYBFFSTVITJPTMF-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.03
Rot. Bonds5

About N-[2-(1-hydroxycyclopentyl)ethyl]-2-imidazo[1,2-a]pyridin-3-yl-N-methylacetamide

N-[2-(1-hydroxycyclopentyl)ethyl]-2-imidazo[1,2-a]pyridin-3-yl-N-methylacetamide (PubChem CID 118772659) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[2-(1-hydroxycyclopentyl)ethyl]-2-imidazo[1,2-a]pyridin-3-yl-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(1-hydroxycyclopentyl)ethyl]-2-imidazo[1,2-a]pyridin-3-yl-N-methylacetamide
PubChem CID118772659
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[2-(1-hydroxycyclopentyl)ethyl]-2-imidazo[1,2-a]pyridin-3-yl-N-methylacetamide
SMILESCN(CCC1(O)CCCC1)C(=O)Cc1cnc2ccccn12
InChIInChI=1S/C17H23N3O2/c1-19(11-9-17(22)7-3-4-8-17)16(21)12-14-13-18-15-6-2-5-10-20(14)15/h2,5-6,10,13,22H,3-4,7-9,11-12H2,1H3
InChIKeyYBFFSTVITJPTMF-UHFFFAOYSA-N
XLogP2.03
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-hydroxycyclopentyl)ethyl]-2-imidazo[1,2-a]pyridin-3-yl-N-methylacetamide?
The IUPAC name of N-[2-(1-hydroxycyclopentyl)ethyl]-2-imidazo[1,2-a]pyridin-3-yl-N-methylacetamide (CID 118772659) is N-[2-(1-hydroxycyclopentyl)ethyl]-2-imidazo[1,2-a]pyridin-3-yl-N-methylacetamide.
What is the SMILES notation for N-[2-(1-hydroxycyclopentyl)ethyl]-2-imidazo[1,2-a]pyridin-3-yl-N-methylacetamide?
The canonical SMILES for N-[2-(1-hydroxycyclopentyl)ethyl]-2-imidazo[1,2-a]pyridin-3-yl-N-methylacetamide is CN(CCC1(O)CCCC1)C(=O)Cc1cnc2ccccn12.
What is the InChIKey of N-[2-(1-hydroxycyclopentyl)ethyl]-2-imidazo[1,2-a]pyridin-3-yl-N-methylacetamide?
The InChIKey is YBFFSTVITJPTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-19(11-9-17(22)7-3-4-8-17)16(21)12-14-13-18-15-6-2-5-10-20(14)15/h2,5-6,10,13,22H,3-4,7-9,11-12H2,1H3.
What are the key properties of N-[2-(1-hydroxycyclopentyl)ethyl]-2-imidazo[1,2-a]pyridin-3-yl-N-methylacetamide?
N-[2-(1-hydroxycyclopentyl)ethyl]-2-imidazo[1,2-a]pyridin-3-yl-N-methylacetamide has a molecular weight of 301.39 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-hydroxycyclopentyl)ethyl]-2-imidazo[1,2-a]pyridin-3-yl-N-methylacetamide is sourced from PubChem (CID 118772659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).