N-[(4-fluorophenyl)methyl]-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide

C17H17FN2O2S — CID 100731893

IUPACN-[(4-fluorophenyl)methyl]-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(O[C@@H]2CCSC2)nc1
InChIInChI=1S/C17H17FN2O2S/c18-14-4-1-12(2-5-14)9-20-17(21)13-3-6-16(19-10-13)22-15-7-8-23-11-15/h1-6,10,15H,7-9,11H2,(H,20,21)/t15-/m1/s1
InChIKeyXFLDRAGQHLCMCV-OAHLLOKOSA-N
MW332.40 g/mol
LogP3.04
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide

N-[(4-fluorophenyl)methyl]-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide (PubChem CID 100731893) has the molecular formula C17H17FN2O2S and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
PubChem CID100731893
Molecular FormulaC17H17FN2O2S
Molecular Weight332.40 g/mol
Exact Mass332.10
IUPAC NameN-[(4-fluorophenyl)methyl]-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(O[C@@H]2CCSC2)nc1
InChIInChI=1S/C17H17FN2O2S/c18-14-4-1-12(2-5-14)9-20-17(21)13-3-6-16(19-10-13)22-15-7-8-23-11-15/h1-6,10,15H,7-9,11H2,(H,20,21)/t15-/m1/s1
InChIKeyXFLDRAGQHLCMCV-OAHLLOKOSA-N
XLogP3.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethoxyethyl)-6-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 100731809
N-cyclopentyl-6-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91625371
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-(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-(oxolan-2-ylmethoxy)pyridine-3-carboxamide
CID 121017286
N-(3-imidazol-1-ylpropyl)-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 100731866
N-methoxy-N-methyl-6-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91815546
pyrrolidin-1-yl-[6-(thiolan-3-yloxy)-3-pyridinyl]methanone
CID 91625365
5-N-[(4-fluorophenyl)methyl]-2-N-hydroxypyridine-2,5-dicarboxamide
CID 44540008
N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 18148195

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide (CID 100731893) is N-[(4-fluorophenyl)methyl]-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide is O=C(NCc1ccc(F)cc1)c1ccc(O[C@@H]2CCSC2)nc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide?
The InChIKey is XFLDRAGQHLCMCV-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17FN2O2S/c18-14-4-1-12(2-5-14)9-20-17(21)13-3-6-16(19-10-13)22-15-7-8-23-11-15/h1-6,10,15H,7-9,11H2,(H,20,21)/t15-/m1/s1.
What are the key properties of N-[(4-fluorophenyl)methyl]-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 100731893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).