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

N-(1-hydroxy-2-methylpropan-2-yl)-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 100731769
N-cyclopentyl-6-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91625371
tert-butyl N-[2-[[6-[(3S)-thiolan-3-yl]oxypyridine-3-carbonyl]amino]ethyl]carbamate
CID 100733178
tert-butyl N-[2-[[6-[(3R)-thiolan-3-yl]oxypyridine-3-carbonyl]amino]ethyl]carbamate
CID 100733186
N-(2,2-dimethoxyethyl)-6-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 100731809
N-[(4-fluorophenyl)methyl]-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 100731893
N-methoxy-N-methyl-6-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91815546
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-6-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91625388
pyrrolidin-1-yl-[6-(thiolan-3-yloxy)-3-pyridinyl]methanone
CID 91625365
N-(3-imidazol-1-ylpropyl)-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 100731866
2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 120515882
6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide
CID 63980448

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).