N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-N-methyl-2-thiophen-2-ylacetamide

C17H20N2O3S — CID 110125360

IUPACN-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-N-methyl-2-thiophen-2-ylacetamide
SMILESCN(C(=O)Cc1cccs1)[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O
InChIInChI=1S/C17H20N2O3S/c1-19(16(20)10-13-5-3-9-23-13)14-6-7-15(17(14)21)22-12-4-2-8-18-11-12/h2-5,8-9,11,14-15,17,21H,6-7,10H2,1H3/t14-,15-,17-/m1/s1
InChIKeyASFAKMKOPAHBET-BFYDXBDKSA-N
MW332.42 g/mol
LogP2.11
Rot. Bonds5

About N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-N-methyl-2-thiophen-2-ylacetamide

N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-N-methyl-2-thiophen-2-ylacetamide (PubChem CID 110125360) has the molecular formula C17H20N2O3S and a molecular weight of 332.42 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-N-methyl-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-N-methyl-2-thiophen-2-ylacetamide
PubChem CID110125360
Molecular FormulaC17H20N2O3S
Molecular Weight332.42 g/mol
Exact Mass332.12
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-N-methyl-2-thiophen-2-ylacetamide
SMILESCN(C(=O)Cc1cccs1)[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O
InChIInChI=1S/C17H20N2O3S/c1-19(16(20)10-13-5-3-9-23-13)14-6-7-15(17(14)21)22-12-4-2-8-18-11-12/h2-5,8-9,11,14-15,17,21H,6-7,10H2,1H3/t14-,15-,17-/m1/s1
InChIKeyASFAKMKOPAHBET-BFYDXBDKSA-N
XLogP2.11
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-N-methyl-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-N-methyl-2-thiophen-2-ylacetamide (CID 110125360) is N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-N-methyl-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-N-methyl-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-N-methyl-2-thiophen-2-ylacetamide is CN(C(=O)Cc1cccs1)[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-N-methyl-2-thiophen-2-ylacetamide?
The InChIKey is ASFAKMKOPAHBET-BFYDXBDKSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-19(16(20)10-13-5-3-9-23-13)14-6-7-15(17(14)21)22-12-4-2-8-18-11-12/h2-5,8-9,11,14-15,17,21H,6-7,10H2,1H3/t14-,15-,17-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-N-methyl-2-thiophen-2-ylacetamide?
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-N-methyl-2-thiophen-2-ylacetamide has a molecular weight of 332.42 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-N-methyl-2-thiophen-2-ylacetamide is sourced from PubChem (CID 110125360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).