5-bromo-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide

C11H9BrN2OS — CID 43424452

IUPAC5-bromo-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
SMILESO=C(NCc1ccncc1)c1csc(Br)c1
InChIInChI=1S/C11H9BrN2OS/c12-10-5-9(7-16-10)11(15)14-6-8-1-3-13-4-2-8/h1-5,7H,6H2,(H,14,15)
InChIKeyAONKCPANJIYLOH-UHFFFAOYSA-N
MW297.18 g/mol
LogP2.84
Rot. Bonds3

About 5-bromo-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide

5-bromo-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide (PubChem CID 43424452) has the molecular formula C11H9BrN2OS and a molecular weight of 297.18 g/mol. Its IUPAC name is 5-bromo-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
PubChem CID43424452
Molecular FormulaC11H9BrN2OS
Molecular Weight297.18 g/mol
Exact Mass295.96
IUPAC Name5-bromo-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
SMILESO=C(NCc1ccncc1)c1csc(Br)c1
InChIInChI=1S/C11H9BrN2OS/c12-10-5-9(7-16-10)11(15)14-6-8-1-3-13-4-2-8/h1-5,7H,6H2,(H,14,15)
InChIKeyAONKCPANJIYLOH-UHFFFAOYSA-N
XLogP2.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[[2-(hydroxymethyl)phenyl]methyl]thiophene-3-carboxamide
CID 110902407
5-bromo-N-[(3-methyl-2-pyridinyl)methyl]thiophene-3-carboxamide
CID 63310048
5-bromo-N-[(2-ethylphenyl)methyl]thiophene-3-carboxamide
CID 64695293
4-bromo-3-chloro-N-(pyridin-4-ylmethyl)benzamide
CID 80948919
4-bromo-3-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 113338678
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427
5-bromo-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-3-carboxamide
CID 34646544
N-(3-aminopropyl)-5-bromothiophene-3-carboxamide
CID 61249682
4,5-dibromo-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 47099600
N-[(5-bromothiophen-3-yl)methyl]thiophene-3-carboxamide
CID 47183552
N-[[4-(bromomethyl)phenyl]methyl]pyridine-4-carboxamide
CID 107233792
5-hydroxy-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 63864257

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide (CID 43424452) is 5-bromo-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide is O=C(NCc1ccncc1)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide?
The InChIKey is AONKCPANJIYLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2OS/c12-10-5-9(7-16-10)11(15)14-6-8-1-3-13-4-2-8/h1-5,7H,6H2,(H,14,15).
What are the key properties of 5-bromo-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide?
5-bromo-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide has a molecular weight of 297.18 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide is sourced from PubChem (CID 43424452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).