5-bromo-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]pyridine-3-carboxamide

C16H13BrN2O3S — CID 129417175

IUPAC5-bromo-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]pyridine-3-carboxamide
SMILESO=C(NC[C@](O)(c1ccoc1)c1cccs1)c1cncc(Br)c1
InChIInChI=1S/C16H13BrN2O3S/c17-13-6-11(7-18-8-13)15(20)19-10-16(21,12-3-4-22-9-12)14-2-1-5-23-14/h1-9,21H,10H2,(H,19,20)/t16-/m0/s1
InChIKeyLUZSVYAJNUZZMK-INIZCTEOSA-N
MW393.26 g/mol
LogP3.16
Rot. Bonds5

About 5-bromo-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]pyridine-3-carboxamide

5-bromo-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]pyridine-3-carboxamide (PubChem CID 129417175) has the molecular formula C16H13BrN2O3S and a molecular weight of 393.26 g/mol. Its IUPAC name is 5-bromo-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]pyridine-3-carboxamide
PubChem CID129417175
Molecular FormulaC16H13BrN2O3S
Molecular Weight393.26 g/mol
Exact Mass391.98
IUPAC Name5-bromo-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]pyridine-3-carboxamide
SMILESO=C(NC[C@](O)(c1ccoc1)c1cccs1)c1cncc(Br)c1
InChIInChI=1S/C16H13BrN2O3S/c17-13-6-11(7-18-8-13)15(20)19-10-16(21,12-3-4-22-9-12)14-2-1-5-23-14/h1-9,21H,10H2,(H,19,20)/t16-/m0/s1
InChIKeyLUZSVYAJNUZZMK-INIZCTEOSA-N
XLogP3.16
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.26
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 121018452
N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 129417010
N'-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide
CID 129418002
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-methylthiadiazole-5-carboxamide
CID 121018444
N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2,5-dimethylbenzamide
CID 124892781
N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide
CID 124728029
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-benzothiophene-2-carboxamide
CID 119101200
N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropanecarboxamide
CID 124891349
2-ethylsulfanyl-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]benzamide
CID 129416706
2-(2-chlorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide
CID 126852465
N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide
CID 124892133
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-thiophen-2-ylprop-2-enamide
CID 171130567

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]pyridine-3-carboxamide (CID 129417175) is 5-bromo-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]pyridine-3-carboxamide is O=C(NC[C@](O)(c1ccoc1)c1cccs1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]pyridine-3-carboxamide?
The InChIKey is LUZSVYAJNUZZMK-INIZCTEOSA-N. The full InChI is InChI=1S/C16H13BrN2O3S/c17-13-6-11(7-18-8-13)15(20)19-10-16(21,12-3-4-22-9-12)14-2-1-5-23-14/h1-9,21H,10H2,(H,19,20)/t16-/m0/s1.
What are the key properties of 5-bromo-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]pyridine-3-carboxamide?
5-bromo-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]pyridine-3-carboxamide has a molecular weight of 393.26 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]pyridine-3-carboxamide is sourced from PubChem (CID 129417175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).