N-(2-bromo-4-fluorophenyl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide

C16H14BrFN2O2S — CID 91815685

IUPACN-(2-bromo-4-fluorophenyl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1Br)c1ccnc(OC2CCSC2)c1
InChIInChI=1S/C16H14BrFN2O2S/c17-13-8-11(18)1-2-14(13)20-16(21)10-3-5-19-15(7-10)22-12-4-6-23-9-12/h1-3,5,7-8,12H,4,6,9H2,(H,20,21)
InChIKeyRORQJOXQYHHZTM-UHFFFAOYSA-N
MW397.27 g/mol
LogP4.12
Rot. Bonds4

About N-(2-bromo-4-fluorophenyl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide

N-(2-bromo-4-fluorophenyl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide (PubChem CID 91815685) has the molecular formula C16H14BrFN2O2S and a molecular weight of 397.27 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide
PubChem CID91815685
Molecular FormulaC16H14BrFN2O2S
Molecular Weight397.27 g/mol
Exact Mass395.99
IUPAC NameN-(2-bromo-4-fluorophenyl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1Br)c1ccnc(OC2CCSC2)c1
InChIInChI=1S/C16H14BrFN2O2S/c17-13-8-11(18)1-2-14(13)20-16(21)10-3-5-19-15(7-10)22-12-4-6-23-9-12/h1-3,5,7-8,12H,4,6,9H2,(H,20,21)
InChIKeyRORQJOXQYHHZTM-UHFFFAOYSA-N
XLogP4.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.27
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-pyrimidin-2-yl-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100734562
N-(5-methyl-1,3-thiazol-2-yl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100735077
N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide
CID 91815579
N-(3-methoxypropyl)-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100733796
N-(2-bromo-4-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 62165424
N-(2-bromo-4-fluorophenyl)pyridine-4-carboxamide
CID 28938574
N-(2-phenoxyethyl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100735245
N-(2,2-diethoxyethyl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100733843
N,N,4-trimethyl-2-[[2-[(3R)-thiolan-3-yl]oxypyridine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
CID 100734902
morpholin-4-yl-[2-[(3R)-thiolan-3-yl]oxy-4-pyridinyl]methanone
CID 100733701
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 124760779
N-(2-bromo-4-fluorophenyl)-4-fluorobenzamide
CID 28938573

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide (CID 91815685) is N-(2-bromo-4-fluorophenyl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide is O=C(Nc1ccc(F)cc1Br)c1ccnc(OC2CCSC2)c1.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide?
The InChIKey is RORQJOXQYHHZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2O2S/c17-13-8-11(18)1-2-14(13)20-16(21)10-3-5-19-15(7-10)22-12-4-6-23-9-12/h1-3,5,7-8,12H,4,6,9H2,(H,20,21).
What are the key properties of N-(2-bromo-4-fluorophenyl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide?
N-(2-bromo-4-fluorophenyl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide has a molecular weight of 397.27 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide is sourced from PubChem (CID 91815685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).