3,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-2-carboxamide

C11H11Cl2N3O2 — CID 60616997

IUPAC3,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-2-carboxamide
SMILESO=C1CCC(NC(=O)c2nc(Cl)ccc2Cl)CN1
InChIInChI=1S/C11H11Cl2N3O2/c12-7-2-3-8(13)16-10(7)11(18)15-6-1-4-9(17)14-5-6/h2-3,6H,1,4-5H2,(H,14,17)(H,15,18)
InChIKeyHAXBBGJTGXQEKY-UHFFFAOYSA-N
MW288.13 g/mol
LogP1.40
Rot. Bonds2

About 3,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-2-carboxamide

3,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-2-carboxamide (PubChem CID 60616997) has the molecular formula C11H11Cl2N3O2 and a molecular weight of 288.13 g/mol. Its IUPAC name is 3,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-2-carboxamide
PubChem CID60616997
Molecular FormulaC11H11Cl2N3O2
Molecular Weight288.13 g/mol
Exact Mass287.02
IUPAC Name3,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-2-carboxamide
SMILESO=C1CCC(NC(=O)c2nc(Cl)ccc2Cl)CN1
InChIInChI=1S/C11H11Cl2N3O2/c12-7-2-3-8(13)16-10(7)11(18)15-6-1-4-9(17)14-5-6/h2-3,6H,1,4-5H2,(H,14,17)(H,15,18)
InChIKeyHAXBBGJTGXQEKY-UHFFFAOYSA-N
XLogP1.40
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 51.40
H-Bond Donors ≤ 52
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 3,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-2-carboxamide (CID 60616997) is 3,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-2-carboxamide is O=C1CCC(NC(=O)c2nc(Cl)ccc2Cl)CN1.
What is the InChIKey of 3,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-2-carboxamide?
The InChIKey is HAXBBGJTGXQEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O2/c12-7-2-3-8(13)16-10(7)11(18)15-6-1-4-9(17)14-5-6/h2-3,6H,1,4-5H2,(H,14,17)(H,15,18).
What are the key properties of 3,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-2-carboxamide?
3,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-2-carboxamide has a molecular weight of 288.13 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 60616997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).