5,6-dichloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide

C12H13Cl2N3O2 — CID 64670220

IUPAC5,6-dichloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide
SMILESCN1CC(NC(=O)c2cnc(Cl)c(Cl)c2)CCC1=O
InChIInChI=1S/C12H13Cl2N3O2/c1-17-6-8(2-3-10(17)18)16-12(19)7-4-9(13)11(14)15-5-7/h4-5,8H,2-3,6H2,1H3,(H,16,19)
InChIKeyODSZMEUVJDDSQI-UHFFFAOYSA-N
MW302.16 g/mol
LogP1.74
Rot. Bonds2

About 5,6-dichloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide

5,6-dichloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide (PubChem CID 64670220) has the molecular formula C12H13Cl2N3O2 and a molecular weight of 302.16 g/mol. Its IUPAC name is 5,6-dichloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide
PubChem CID64670220
Molecular FormulaC12H13Cl2N3O2
Molecular Weight302.16 g/mol
Exact Mass301.04
IUPAC Name5,6-dichloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide
SMILESCN1CC(NC(=O)c2cnc(Cl)c(Cl)c2)CCC1=O
InChIInChI=1S/C12H13Cl2N3O2/c1-17-6-8(2-3-10(17)18)16-12(19)7-4-9(13)11(14)15-5-7/h4-5,8H,2-3,6H2,1H3,(H,16,19)
InChIKeyODSZMEUVJDDSQI-UHFFFAOYSA-N
XLogP1.74
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 51.74
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 5,6-dichloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide (CID 64670220) is 5,6-dichloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide is CN1CC(NC(=O)c2cnc(Cl)c(Cl)c2)CCC1=O.
What is the InChIKey of 5,6-dichloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide?
The InChIKey is ODSZMEUVJDDSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O2/c1-17-6-8(2-3-10(17)18)16-12(19)7-4-9(13)11(14)15-5-7/h4-5,8H,2-3,6H2,1H3,(H,16,19).
What are the key properties of 5,6-dichloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide?
5,6-dichloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide has a molecular weight of 302.16 g/mol, XLogP of 1.74, 2 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-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 64670220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).