N-(2,2-dimethoxyethyl)-6-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide

C14H20N2O4S — CID 100731809

IUPACN-(2,2-dimethoxyethyl)-6-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide
SMILESCOC(CNC(=O)c1ccc(O[C@H]2CCSC2)nc1)OC
InChIInChI=1S/C14H20N2O4S/c1-18-13(19-2)8-16-14(17)10-3-4-12(15-7-10)20-11-5-6-21-9-11/h3-4,7,11,13H,5-6,8-9H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyYPQNMTSNMDLKGV-NSHDSACASA-N
MW312.39 g/mol
LogP1.31
Rot. Bonds7

About N-(2,2-dimethoxyethyl)-6-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide

N-(2,2-dimethoxyethyl)-6-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide (PubChem CID 100731809) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-6-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-6-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide
PubChem CID100731809
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-(2,2-dimethoxyethyl)-6-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide
SMILESCOC(CNC(=O)c1ccc(O[C@H]2CCSC2)nc1)OC
InChIInChI=1S/C14H20N2O4S/c1-18-13(19-2)8-16-14(17)10-3-4-12(15-7-10)20-11-5-6-21-9-11/h3-4,7,11,13H,5-6,8-9H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyYPQNMTSNMDLKGV-NSHDSACASA-N
XLogP1.31
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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
N-[(4-fluorophenyl)methyl]-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 100731893
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-methoxy-N-methyl-6-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91815546
N-(2,2-diethoxyethyl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100733843
N-(3-imidazol-1-ylpropyl)-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 100731866
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-methoxypropyl)-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100733796

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-6-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-6-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide (CID 100731809) is N-(2,2-dimethoxyethyl)-6-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-6-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-6-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide is COC(CNC(=O)c1ccc(O[C@H]2CCSC2)nc1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-6-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide?
The InChIKey is YPQNMTSNMDLKGV-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-18-13(19-2)8-16-14(17)10-3-4-12(15-7-10)20-11-5-6-21-9-11/h3-4,7,11,13H,5-6,8-9H2,1-2H3,(H,16,17)/t11-/m0/s1.
What are the key properties of N-(2,2-dimethoxyethyl)-6-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide?
N-(2,2-dimethoxyethyl)-6-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-6-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 100731809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).