N-methoxy-N-methyl-6-(thiolan-3-yloxy)pyridine-3-carboxamide

C12H16N2O3S — CID 91815546

IUPACN-methoxy-N-methyl-6-(thiolan-3-yloxy)pyridine-3-carboxamide
SMILESCON(C)C(=O)c1ccc(OC2CCSC2)nc1
InChIInChI=1S/C12H16N2O3S/c1-14(16-2)12(15)9-3-4-11(13-7-9)17-10-5-6-18-8-10/h3-4,7,10H,5-6,8H2,1-2H3
InChIKeyUNIYRJVTYHVDBS-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.60
Rot. Bonds4

About N-methoxy-N-methyl-6-(thiolan-3-yloxy)pyridine-3-carboxamide

N-methoxy-N-methyl-6-(thiolan-3-yloxy)pyridine-3-carboxamide (PubChem CID 91815546) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-methoxy-N-methyl-6-(thiolan-3-yloxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-6-(thiolan-3-yloxy)pyridine-3-carboxamide
PubChem CID91815546
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC NameN-methoxy-N-methyl-6-(thiolan-3-yloxy)pyridine-3-carboxamide
SMILESCON(C)C(=O)c1ccc(OC2CCSC2)nc1
InChIInChI=1S/C12H16N2O3S/c1-14(16-2)12(15)9-3-4-11(13-7-9)17-10-5-6-18-8-10/h3-4,7,10H,5-6,8H2,1-2H3
InChIKeyUNIYRJVTYHVDBS-UHFFFAOYSA-N
XLogP1.60
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dimethoxyethyl)-6-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 100731809
tert-butyl N-[2-[[6-[(3R)-thiolan-3-yl]oxypyridine-3-carbonyl]amino]ethyl]carbamate
CID 100733186
tert-butyl N-[2-[[6-[(3S)-thiolan-3-yl]oxypyridine-3-carbonyl]amino]ethyl]carbamate
CID 100733178
pyrrolidin-1-yl-[6-(thiolan-3-yloxy)-3-pyridinyl]methanone
CID 91625365
N-cyclopentyl-6-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91625371
N-(1-hydroxy-2-methylpropan-2-yl)-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 100731769
N-(1-hydroxy-2-methylpropan-2-yl)-6-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91625368
N-[(4-fluorophenyl)methyl]-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 100731893
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-6-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91625388
N-(3-imidazol-1-ylpropyl)-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 100731866
1-[4-methoxy-3-(thiolan-3-yloxy)phenyl]ethanone
CID 115005229
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[6-(thiolan-3-yloxy)-3-pyridinyl]methanone
CID 117054396

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-6-(thiolan-3-yloxy)pyridine-3-carboxamide?
The IUPAC name of N-methoxy-N-methyl-6-(thiolan-3-yloxy)pyridine-3-carboxamide (CID 91815546) is N-methoxy-N-methyl-6-(thiolan-3-yloxy)pyridine-3-carboxamide.
What is the SMILES notation for N-methoxy-N-methyl-6-(thiolan-3-yloxy)pyridine-3-carboxamide?
The canonical SMILES for N-methoxy-N-methyl-6-(thiolan-3-yloxy)pyridine-3-carboxamide is CON(C)C(=O)c1ccc(OC2CCSC2)nc1.
What is the InChIKey of N-methoxy-N-methyl-6-(thiolan-3-yloxy)pyridine-3-carboxamide?
The InChIKey is UNIYRJVTYHVDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-14(16-2)12(15)9-3-4-11(13-7-9)17-10-5-6-18-8-10/h3-4,7,10H,5-6,8H2,1-2H3.
What are the key properties of N-methoxy-N-methyl-6-(thiolan-3-yloxy)pyridine-3-carboxamide?
N-methoxy-N-methyl-6-(thiolan-3-yloxy)pyridine-3-carboxamide has a molecular weight of 268.34 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-6-(thiolan-3-yloxy)pyridine-3-carboxamide is sourced from PubChem (CID 91815546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).