2,5-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-4-carboxamide

C14H14Cl2N2OS — CID 114917789

IUPAC2,5-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-4-carboxamide
SMILESCC(C)C(NC(=O)c1cc(Cl)ncc1Cl)c1cccs1
InChIInChI=1S/C14H14Cl2N2OS/c1-8(2)13(11-4-3-5-20-11)18-14(19)9-6-12(16)17-7-10(9)15/h3-8,13H,1-2H3,(H,18,19)
InChIKeyDWBWOFXVBMJFNS-UHFFFAOYSA-N
MW329.25 g/mol
LogP4.58
Rot. Bonds4

About 2,5-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-4-carboxamide

2,5-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-4-carboxamide (PubChem CID 114917789) has the molecular formula C14H14Cl2N2OS and a molecular weight of 329.25 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-4-carboxamide
PubChem CID114917789
Molecular FormulaC14H14Cl2N2OS
Molecular Weight329.25 g/mol
Exact Mass328.02
IUPAC Name2,5-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-4-carboxamide
SMILESCC(C)C(NC(=O)c1cc(Cl)ncc1Cl)c1cccs1
InChIInChI=1S/C14H14Cl2N2OS/c1-8(2)13(11-4-3-5-20-11)18-14(19)9-6-12(16)17-7-10(9)15/h3-8,13H,1-2H3,(H,18,19)
InChIKeyDWBWOFXVBMJFNS-UHFFFAOYSA-N
XLogP4.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.25
LogP ≤ 54.58
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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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-4-carboxamide (CID 114917789) is 2,5-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-4-carboxamide is CC(C)C(NC(=O)c1cc(Cl)ncc1Cl)c1cccs1.
What is the InChIKey of 2,5-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-4-carboxamide?
The InChIKey is DWBWOFXVBMJFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2OS/c1-8(2)13(11-4-3-5-20-11)18-14(19)9-6-12(16)17-7-10(9)15/h3-8,13H,1-2H3,(H,18,19).
What are the key properties of 2,5-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-4-carboxamide?
2,5-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-4-carboxamide has a molecular weight of 329.25 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 114917789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).