N-(1-hydroxy-2-methylpropan-2-yl)-6-(thiolan-3-yloxy)pyridine-3-carboxamide

C14H20N2O3S — CID 91625368

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-6-(thiolan-3-yloxy)pyridine-3-carboxamide
SMILESCC(C)(CO)NC(=O)c1ccc(OC2CCSC2)nc1
InChIInChI=1S/C14H20N2O3S/c1-14(2,9-17)16-13(18)10-3-4-12(15-7-10)19-11-5-6-20-8-11/h3-4,7,11,17H,5-6,8-9H2,1-2H3,(H,16,18)
InChIKeyASTMUNPXJFKDBG-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.47
Rot. Bonds5

About N-(1-hydroxy-2-methylpropan-2-yl)-6-(thiolan-3-yloxy)pyridine-3-carboxamide

N-(1-hydroxy-2-methylpropan-2-yl)-6-(thiolan-3-yloxy)pyridine-3-carboxamide (PubChem CID 91625368) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-6-(thiolan-3-yloxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-6-(thiolan-3-yloxy)pyridine-3-carboxamide
PubChem CID91625368
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-6-(thiolan-3-yloxy)pyridine-3-carboxamide
SMILESCC(C)(CO)NC(=O)c1ccc(OC2CCSC2)nc1
InChIInChI=1S/C14H20N2O3S/c1-14(2,9-17)16-13(18)10-3-4-12(15-7-10)19-11-5-6-20-8-11/h3-4,7,11,17H,5-6,8-9H2,1-2H3,(H,16,18)
InChIKeyASTMUNPXJFKDBG-UHFFFAOYSA-N
XLogP1.47
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 71454767
CID 71454767
CID 58368244
CID 58368244
CID 205796
CID 205796
CID 71274
CID 71274
CID 2769143
CID 2769143
CID 2769129
CID 2769129
CID 71449412
CID 71449412
CID 71461952
CID 71461952
CID 121493749
CID 121493749
CID 3058514
CID 3058514
CID 45791499
CID 45791499
CID 45887428
CID 45887428

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-6-(thiolan-3-yloxy)pyridine-3-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-6-(thiolan-3-yloxy)pyridine-3-carboxamide (CID 91625368) is N-(1-hydroxy-2-methylpropan-2-yl)-6-(thiolan-3-yloxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-6-(thiolan-3-yloxy)pyridine-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-6-(thiolan-3-yloxy)pyridine-3-carboxamide is CC(C)(CO)NC(=O)c1ccc(OC2CCSC2)nc1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-6-(thiolan-3-yloxy)pyridine-3-carboxamide?
The InChIKey is ASTMUNPXJFKDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-14(2,9-17)16-13(18)10-3-4-12(15-7-10)19-11-5-6-20-8-11/h3-4,7,11,17H,5-6,8-9H2,1-2H3,(H,16,18).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-6-(thiolan-3-yloxy)pyridine-3-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-6-(thiolan-3-yloxy)pyridine-3-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-6-(thiolan-3-yloxy)pyridine-3-carboxamide is sourced from PubChem (CID 91625368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).