N-(2-phenoxyethyl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide

C18H20N2O3S — CID 100735245

IUPACN-(2-phenoxyethyl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
SMILESO=C(NCCOc1ccccc1)c1ccnc(O[C@H]2CCSC2)c1
InChIInChI=1S/C18H20N2O3S/c21-18(20-9-10-22-15-4-2-1-3-5-15)14-6-8-19-17(12-14)23-16-7-11-24-13-16/h1-6,8,12,16H,7,9-11,13H2,(H,20,21)/t16-/m0/s1
InChIKeyWEKYSKMABYCEBX-INIZCTEOSA-N
MW344.44 g/mol
LogP2.77
Rot. Bonds7

About N-(2-phenoxyethyl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide

N-(2-phenoxyethyl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide (PubChem CID 100735245) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
PubChem CID100735245
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-(2-phenoxyethyl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
SMILESO=C(NCCOc1ccccc1)c1ccnc(O[C@H]2CCSC2)c1
InChIInChI=1S/C18H20N2O3S/c21-18(20-9-10-22-15-4-2-1-3-5-15)14-6-8-19-17(12-14)23-16-7-11-24-13-16/h1-6,8,12,16H,7,9-11,13H2,(H,20,21)/t16-/m0/s1
InChIKeyWEKYSKMABYCEBX-INIZCTEOSA-N
XLogP2.77
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100733796
N-[2-(1H-indol-3-yl)ethyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100734079
N-pyrimidin-2-yl-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100734562
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100734053
N-(1-benzylpiperidin-4-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide
CID 91815641
N-(2,2-diethoxyethyl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100733843
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 124760779
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100734114
N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100735448
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100734697
N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100735623
N-(5-methyl-1,3-thiazol-2-yl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100735077

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide?
The IUPAC name of N-(2-phenoxyethyl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide (CID 100735245) is N-(2-phenoxyethyl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide.
What is the SMILES notation for N-(2-phenoxyethyl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide?
The canonical SMILES for N-(2-phenoxyethyl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide is O=C(NCCOc1ccccc1)c1ccnc(O[C@H]2CCSC2)c1.
What is the InChIKey of N-(2-phenoxyethyl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide?
The InChIKey is WEKYSKMABYCEBX-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N2O3S/c21-18(20-9-10-22-15-4-2-1-3-5-15)14-6-8-19-17(12-14)23-16-7-11-24-13-16/h1-6,8,12,16H,7,9-11,13H2,(H,20,21)/t16-/m0/s1.
What are the key properties of N-(2-phenoxyethyl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide?
N-(2-phenoxyethyl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide is sourced from PubChem (CID 100735245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).