5,6-dichloro-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide

C14H14Cl2N2OS — CID 61381170

IUPAC5,6-dichloro-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide
SMILESCCCC(NC(=O)c1cnc(Cl)c(Cl)c1)c1cccs1
InChIInChI=1S/C14H14Cl2N2OS/c1-2-4-11(12-5-3-6-20-12)18-14(19)9-7-10(15)13(16)17-8-9/h3,5-8,11H,2,4H2,1H3,(H,18,19)
InChIKeyHVSRQRGBCBJRFC-UHFFFAOYSA-N
MW329.25 g/mol
LogP4.72
Rot. Bonds5

About 5,6-dichloro-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide

5,6-dichloro-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide (PubChem CID 61381170) has the molecular formula C14H14Cl2N2OS and a molecular weight of 329.25 g/mol. Its IUPAC name is 5,6-dichloro-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide
PubChem CID61381170
Molecular FormulaC14H14Cl2N2OS
Molecular Weight329.25 g/mol
Exact Mass328.02
IUPAC Name5,6-dichloro-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide
SMILESCCCC(NC(=O)c1cnc(Cl)c(Cl)c1)c1cccs1
InChIInChI=1S/C14H14Cl2N2OS/c1-2-4-11(12-5-3-6-20-12)18-14(19)9-7-10(15)13(16)17-8-9/h3,5-8,11H,2,4H2,1H3,(H,18,19)
InChIKeyHVSRQRGBCBJRFC-UHFFFAOYSA-N
XLogP4.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.25
LogP ≤ 54.72
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-ylbutyl)pyridine-3-carboxamide
CID 66464915
5,6-dichloro-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide
CID 8854525
6-chloro-N-(1-thiophen-2-ylpropyl)pyridine-3-carboxamide
CID 47316391
4-(methylamino)-N-(1-thiophen-2-ylbutyl)benzamide
CID 62173495
N-(1-thiophen-2-ylbutyl)-1H-indazole-6-carboxamide
CID 62907370
6-oxo-N-(1-thiophen-2-ylbutyl)-1H-pyridine-3-carboxamide
CID 61381400
2-fluoro-5-methyl-N-(1-thiophen-2-ylbutyl)benzamide
CID 62513846
3-(ethylamino)-N-(1-thiophen-2-ylbutyl)pyridine-4-carboxamide
CID 105069176
1-methyl-N-(1-thiophen-2-ylbutyl)benzotriazole-5-carboxamide
CID 56753214
5,6-dichloro-N-[(2S)-4-phenylbutan-2-yl]pyridine-3-carboxamide
CID 7987043
2-fluoro-6-hydroxy-N-(1-thiophen-2-ylbutyl)benzamide
CID 104917044
5,6-dichloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
CID 93040790

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide (CID 61381170) is 5,6-dichloro-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide is CCCC(NC(=O)c1cnc(Cl)c(Cl)c1)c1cccs1.
What is the InChIKey of 5,6-dichloro-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide?
The InChIKey is HVSRQRGBCBJRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2OS/c1-2-4-11(12-5-3-6-20-12)18-14(19)9-7-10(15)13(16)17-8-9/h3,5-8,11H,2,4H2,1H3,(H,18,19).
What are the key properties of 5,6-dichloro-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide?
5,6-dichloro-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide has a molecular weight of 329.25 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 61381170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).