N-[[(2R,3R)-3-hydroxy-2-methyloxolan-3-yl]methyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide

C17H20N2O3S — CID 100735307

IUPACN-[[(2R,3R)-3-hydroxy-2-methyloxolan-3-yl]methyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide
SMILESCc1nc(-c2cccs2)ccc1C(=O)NC[C@]1(O)CCO[C@@H]1C
InChIInChI=1S/C17H20N2O3S/c1-11-13(5-6-14(19-11)15-4-3-9-23-15)16(20)18-10-17(21)7-8-22-12(17)2/h3-6,9,12,21H,7-8,10H2,1-2H3,(H,18,20)/t12-,17-/m1/s1
InChIKeyWGUDZQYZFODWSR-SJKOYZFVSA-N
MW332.43 g/mol
LogP2.39
Rot. Bonds4

About N-[[(2R,3R)-3-hydroxy-2-methyloxolan-3-yl]methyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide

N-[[(2R,3R)-3-hydroxy-2-methyloxolan-3-yl]methyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide (PubChem CID 100735307) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[[(2R,3R)-3-hydroxy-2-methyloxolan-3-yl]methyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3R)-3-hydroxy-2-methyloxolan-3-yl]methyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide
PubChem CID100735307
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-[[(2R,3R)-3-hydroxy-2-methyloxolan-3-yl]methyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide
SMILESCc1nc(-c2cccs2)ccc1C(=O)NC[C@]1(O)CCO[C@@H]1C
InChIInChI=1S/C17H20N2O3S/c1-11-13(5-6-14(19-11)15-4-3-9-23-15)16(20)18-10-17(21)7-8-22-12(17)2/h3-6,9,12,21H,7-8,10H2,1-2H3,(H,18,20)/t12-,17-/m1/s1
InChIKeyWGUDZQYZFODWSR-SJKOYZFVSA-N
XLogP2.39
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3R)-3-hydroxy-2-methyloxolan-3-yl]methyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[[(2R,3R)-3-hydroxy-2-methyloxolan-3-yl]methyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide (CID 100735307) is N-[[(2R,3R)-3-hydroxy-2-methyloxolan-3-yl]methyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[[(2R,3R)-3-hydroxy-2-methyloxolan-3-yl]methyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[[(2R,3R)-3-hydroxy-2-methyloxolan-3-yl]methyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide is Cc1nc(-c2cccs2)ccc1C(=O)NC[C@]1(O)CCO[C@@H]1C.
What is the InChIKey of N-[[(2R,3R)-3-hydroxy-2-methyloxolan-3-yl]methyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide?
The InChIKey is WGUDZQYZFODWSR-SJKOYZFVSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-11-13(5-6-14(19-11)15-4-3-9-23-15)16(20)18-10-17(21)7-8-22-12(17)2/h3-6,9,12,21H,7-8,10H2,1-2H3,(H,18,20)/t12-,17-/m1/s1.
What are the key properties of N-[[(2R,3R)-3-hydroxy-2-methyloxolan-3-yl]methyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide?
N-[[(2R,3R)-3-hydroxy-2-methyloxolan-3-yl]methyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3R)-3-hydroxy-2-methyloxolan-3-yl]methyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 100735307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).