6-bromo-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide

C14H15BrN2OS — CID 66464915

IUPAC6-bromo-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide
SMILESCCCC(NC(=O)c1ccc(Br)nc1)c1cccs1
InChIInChI=1S/C14H15BrN2OS/c1-2-4-11(12-5-3-8-19-12)17-14(18)10-6-7-13(15)16-9-10/h3,5-9,11H,2,4H2,1H3,(H,17,18)
InChIKeyFAUYSKLERSJDAN-UHFFFAOYSA-N
MW339.26 g/mol
LogP4.18
Rot. Bonds5

About 6-bromo-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide

6-bromo-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide (PubChem CID 66464915) has the molecular formula C14H15BrN2OS and a molecular weight of 339.26 g/mol. Its IUPAC name is 6-bromo-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide
PubChem CID66464915
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC Name6-bromo-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide
SMILESCCCC(NC(=O)c1ccc(Br)nc1)c1cccs1
InChIInChI=1S/C14H15BrN2OS/c1-2-4-11(12-5-3-8-19-12)17-14(18)10-6-7-13(15)16-9-10/h3,5-9,11H,2,4H2,1H3,(H,17,18)
InChIKeyFAUYSKLERSJDAN-UHFFFAOYSA-N
XLogP4.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 66462490
5,6-dichloro-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide
CID 61381170
4-(methylamino)-N-(1-thiophen-2-ylbutyl)benzamide
CID 62173495
6-oxo-N-(1-thiophen-2-ylbutyl)-1H-pyridine-3-carboxamide
CID 61381400
6-chloro-N-(1-thiophen-2-ylpropyl)pyridine-3-carboxamide
CID 47316391
N-(1-thiophen-2-ylbutyl)-1H-indazole-6-carboxamide
CID 62907370
4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-thiophen-2-ylbutyl]benzamide
CID 125439641
1-methyl-N-(1-thiophen-2-ylbutyl)benzotriazole-5-carboxamide
CID 56753214
5-bromo-N-(1-thiophen-2-ylbutyl)furan-2-carboxamide
CID 61380869
2-bromo-5-fluoro-N-(1-thiophen-2-ylbutyl)benzamide
CID 61381188
2-bromo-N-(1-thiophen-2-ylbutyl)propanamide
CID 107904985
4-(1-methyl-6-oxo-3-pyridinyl)-N-(1-thiophen-2-ylbutyl)benzamide
CID 178026796

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide (CID 66464915) is 6-bromo-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide is CCCC(NC(=O)c1ccc(Br)nc1)c1cccs1.
What is the InChIKey of 6-bromo-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide?
The InChIKey is FAUYSKLERSJDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c1-2-4-11(12-5-3-8-19-12)17-14(18)10-6-7-13(15)16-9-10/h3,5-9,11H,2,4H2,1H3,(H,17,18).
What are the key properties of 6-bromo-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide?
6-bromo-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide has a molecular weight of 339.26 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 66464915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).