N-[(2-fluorophenyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide

C17H17FN2O2S — CID 124759309

IUPACN-[(2-fluorophenyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
SMILESO=C(NCc1ccccc1F)c1cccnc1O[C@@H]1CCSC1
InChIInChI=1S/C17H17FN2O2S/c18-15-6-2-1-4-12(15)10-20-16(21)14-5-3-8-19-17(14)22-13-7-9-23-11-13/h1-6,8,13H,7,9-11H2,(H,20,21)/t13-/m1/s1
InChIKeyCMHDKXDAQKEWMF-CYBMUJFWSA-N
MW332.40 g/mol
LogP3.04
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide

N-[(2-fluorophenyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide (PubChem CID 124759309) has the molecular formula C17H17FN2O2S and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
PubChem CID124759309
Molecular FormulaC17H17FN2O2S
Molecular Weight332.40 g/mol
Exact Mass332.10
IUPAC NameN-[(2-fluorophenyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
SMILESO=C(NCc1ccccc1F)c1cccnc1O[C@@H]1CCSC1
InChIInChI=1S/C17H17FN2O2S/c18-15-6-2-1-4-12(15)10-20-16(21)14-5-3-8-19-17(14)22-13-7-9-23-11-13/h1-6,8,13H,7,9-11H2,(H,20,21)/t13-/m1/s1
InChIKeyCMHDKXDAQKEWMF-CYBMUJFWSA-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-(1H-indol-3-ylmethyl)-2-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91815756
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124841947
N-(3-hydroxypropyl)-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124864290
N-prop-2-ynyl-2-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91815769
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124848421
tert-butyl N-[3-[[2-(thiolan-3-yloxy)pyridine-3-carbonyl]amino]propyl]carbamate
CID 91815760
N-(2-indol-1-ylethyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124759918
2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxylic acid
CID 124680761
N-[2-(2-methylimidazol-1-yl)ethyl]-2-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91815696
N-[(2-fluorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 31900375
N-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124844112
N-(2-phenylphenyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 100736250

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide (CID 124759309) is N-[(2-fluorophenyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide is O=C(NCc1ccccc1F)c1cccnc1O[C@@H]1CCSC1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide?
The InChIKey is CMHDKXDAQKEWMF-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17FN2O2S/c18-15-6-2-1-4-12(15)10-20-16(21)14-5-3-8-19-17(14)22-13-7-9-23-11-13/h1-6,8,13H,7,9-11H2,(H,20,21)/t13-/m1/s1.
What are the key properties of N-[(2-fluorophenyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide?
N-[(2-fluorophenyl)methyl]-2-[(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-[(2-fluorophenyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 124759309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).