N-(6-bromo-3-pyridinyl)-5-oxo-5-thiophen-2-ylpentanamide

C14H13BrN2O2S — CID 110619359

IUPACN-(6-bromo-3-pyridinyl)-5-oxo-5-thiophen-2-ylpentanamide
SMILESO=C(CCCC(=O)c1cccs1)Nc1ccc(Br)nc1
InChIInChI=1S/C14H13BrN2O2S/c15-13-7-6-10(9-16-13)17-14(19)5-1-3-11(18)12-4-2-8-20-12/h2,4,6-9H,1,3,5H2,(H,17,19)
InChIKeyWGXQKPCVKVGQAY-UHFFFAOYSA-N
MW353.24 g/mol
LogP3.90
Rot. Bonds6

About N-(6-bromo-3-pyridinyl)-5-oxo-5-thiophen-2-ylpentanamide

N-(6-bromo-3-pyridinyl)-5-oxo-5-thiophen-2-ylpentanamide (PubChem CID 110619359) has the molecular formula C14H13BrN2O2S and a molecular weight of 353.24 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-5-oxo-5-thiophen-2-ylpentanamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)-5-oxo-5-thiophen-2-ylpentanamide
PubChem CID110619359
Molecular FormulaC14H13BrN2O2S
Molecular Weight353.24 g/mol
Exact Mass351.99
IUPAC NameN-(6-bromo-3-pyridinyl)-5-oxo-5-thiophen-2-ylpentanamide
SMILESO=C(CCCC(=O)c1cccs1)Nc1ccc(Br)nc1
InChIInChI=1S/C14H13BrN2O2S/c15-13-7-6-10(9-16-13)17-14(19)5-1-3-11(18)12-4-2-8-20-12/h2,4,6-9H,1,3,5H2,(H,17,19)
InChIKeyWGXQKPCVKVGQAY-UHFFFAOYSA-N
XLogP3.90
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-oxo-N-(1,3,4-thiadiazol-2-yl)-5-thiophen-2-ylpentanamide
CID 30768610
5-oxo-N-(4-propan-2-yloxyphenyl)-5-thiophen-2-ylpentanamide
CID 110298049
N-(6-bromo-3-pyridinyl)-4-(2-chlorophenyl)-4-oxobutanamide
CID 110614772
N-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 954394
(2-oxo-2-thiophen-2-ylethyl) 5-(4-fluoroanilino)-5-oxopentanoate
CID 3158842
N-[4-[[6-(dimethylamino)-3-pyridinyl]amino]-4-oxobutyl]thiophene-2-carboxamide
CID 30294941
N-(6-bromo-3-pyridinyl)-3-(dimethylamino)propanamide
CID 130770751
N-[4-(2-methylpropanoylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 26679935
N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5-oxo-5-thiophen-2-ylpentanamide
CID 110305588
N-(2-methylpropyl)-5-oxo-5-thiophen-2-ylpentanamide
CID 110298004
4-oxo-N-(4-propylphenyl)-4-thiophen-2-ylbutanamide
CID 9294245
N-(4-hexoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 108796389

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-5-oxo-5-thiophen-2-ylpentanamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)-5-oxo-5-thiophen-2-ylpentanamide (CID 110619359) is N-(6-bromo-3-pyridinyl)-5-oxo-5-thiophen-2-ylpentanamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)-5-oxo-5-thiophen-2-ylpentanamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)-5-oxo-5-thiophen-2-ylpentanamide is O=C(CCCC(=O)c1cccs1)Nc1ccc(Br)nc1.
What is the InChIKey of N-(6-bromo-3-pyridinyl)-5-oxo-5-thiophen-2-ylpentanamide?
The InChIKey is WGXQKPCVKVGQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2S/c15-13-7-6-10(9-16-13)17-14(19)5-1-3-11(18)12-4-2-8-20-12/h2,4,6-9H,1,3,5H2,(H,17,19).
What are the key properties of N-(6-bromo-3-pyridinyl)-5-oxo-5-thiophen-2-ylpentanamide?
N-(6-bromo-3-pyridinyl)-5-oxo-5-thiophen-2-ylpentanamide has a molecular weight of 353.24 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-pyridinyl)-5-oxo-5-thiophen-2-ylpentanamide is sourced from PubChem (CID 110619359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).