1-(3,4,5,6-tetrachloropyridine-2-carbonyl)piperidine-4-carboxamide

C12H11Cl4N3O2 — CID 2088782

IUPAC1-(3,4,5,6-tetrachloropyridine-2-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)CC1
InChIInChI=1S/C12H11Cl4N3O2/c13-6-7(14)9(18-10(16)8(6)15)12(21)19-3-1-5(2-4-19)11(17)20/h5H,1-4H2,(H2,17,20)
InChIKeyVXLOOTYXSJOPDM-UHFFFAOYSA-N
MW371.05 g/mol
LogP3.03
Rot. Bonds2

About 1-(3,4,5,6-tetrachloropyridine-2-carbonyl)piperidine-4-carboxamide

1-(3,4,5,6-tetrachloropyridine-2-carbonyl)piperidine-4-carboxamide (PubChem CID 2088782) has the molecular formula C12H11Cl4N3O2 and a molecular weight of 371.05 g/mol. Its IUPAC name is 1-(3,4,5,6-tetrachloropyridine-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4,5,6-tetrachloropyridine-2-carbonyl)piperidine-4-carboxamide
PubChem CID2088782
Molecular FormulaC12H11Cl4N3O2
Molecular Weight371.05 g/mol
Exact Mass368.96
IUPAC Name1-(3,4,5,6-tetrachloropyridine-2-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)CC1
InChIInChI=1S/C12H11Cl4N3O2/c13-6-7(14)9(18-10(16)8(6)15)12(21)19-3-1-5(2-4-19)11(17)20/h5H,1-4H2,(H2,17,20)
InChIKeyVXLOOTYXSJOPDM-UHFFFAOYSA-N
XLogP3.03
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.05
LogP ≤ 53.03
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 1-(3,4,5,6-tetrachloropyridine-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3,4,5,6-tetrachloropyridine-2-carbonyl)piperidine-4-carboxamide (CID 2088782) is 1-(3,4,5,6-tetrachloropyridine-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4,5,6-tetrachloropyridine-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3,4,5,6-tetrachloropyridine-2-carbonyl)piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)CC1.
What is the InChIKey of 1-(3,4,5,6-tetrachloropyridine-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is VXLOOTYXSJOPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl4N3O2/c13-6-7(14)9(18-10(16)8(6)15)12(21)19-3-1-5(2-4-19)11(17)20/h5H,1-4H2,(H2,17,20).
What are the key properties of 1-(3,4,5,6-tetrachloropyridine-2-carbonyl)piperidine-4-carboxamide?
1-(3,4,5,6-tetrachloropyridine-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 371.05 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,5,6-tetrachloropyridine-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 2088782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).