5,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide

C11H11Cl2N3O2 — CID 62897928

IUPAC5,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide
SMILESO=C1CCC(NC(=O)c2cnc(Cl)c(Cl)c2)CN1
InChIInChI=1S/C11H11Cl2N3O2/c12-8-3-6(4-15-10(8)13)11(18)16-7-1-2-9(17)14-5-7/h3-4,7H,1-2,5H2,(H,14,17)(H,16,18)
InChIKeyUCRUNEBXJWUOEY-UHFFFAOYSA-N
MW288.13 g/mol
LogP1.40
Rot. Bonds2

About 5,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide

5,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide (PubChem CID 62897928) has the molecular formula C11H11Cl2N3O2 and a molecular weight of 288.13 g/mol. Its IUPAC name is 5,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide
PubChem CID62897928
Molecular FormulaC11H11Cl2N3O2
Molecular Weight288.13 g/mol
Exact Mass287.02
IUPAC Name5,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide
SMILESO=C1CCC(NC(=O)c2cnc(Cl)c(Cl)c2)CN1
InChIInChI=1S/C11H11Cl2N3O2/c12-8-3-6(4-15-10(8)13)11(18)16-7-1-2-9(17)14-5-7/h3-4,7H,1-2,5H2,(H,14,17)(H,16,18)
InChIKeyUCRUNEBXJWUOEY-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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Related Compounds

3-chloro-4-fluoro-N-(6-oxopiperidin-3-yl)benzamide
CID 81434409
6-amino-5-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide
CID 113429241
5,6-dichloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 64670220
6-[(6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 63661979
4-chloro-3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 113256480
N-(6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 62492175
5,6-dichloro-N-(3,3-dimethylcyclopentyl)pyridine-3-carboxamide
CID 113345464
2,6-dichloro-N-(6-oxopiperidin-3-yl)benzamide
CID 55246624
3-[(6-oxopiperidin-3-yl)carbamoyl]benzoic acid
CID 63662325
N-(6-oxopiperidin-3-yl)pyridine-2-carboxamide
CID 62492174
5,6-dichloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
CID 54950034
3,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-2-carboxamide
CID 60616997

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide (CID 62897928) is 5,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide is O=C1CCC(NC(=O)c2cnc(Cl)c(Cl)c2)CN1.
What is the InChIKey of 5,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide?
The InChIKey is UCRUNEBXJWUOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O2/c12-8-3-6(4-15-10(8)13)11(18)16-7-1-2-9(17)14-5-7/h3-4,7H,1-2,5H2,(H,14,17)(H,16,18).
What are the key properties of 5,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide?
5,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-3-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 5,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 62897928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).