5,6-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide

C13H15Cl2N3O2 — CID 115618777

IUPAC5,6-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCC(=O)N1CCCCC1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2N3O2/c14-10-6-9(7-16-12(10)15)13(20)17-8-11(19)18-4-2-1-3-5-18/h6-7H,1-5,8H2,(H,17,20)
InChIKeyOUDKSGDIJUKKJL-UHFFFAOYSA-N
MW316.19 g/mol
LogP2.13
Rot. Bonds3

About 5,6-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide

5,6-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 115618777) has the molecular formula C13H15Cl2N3O2 and a molecular weight of 316.19 g/mol. Its IUPAC name is 5,6-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide
PubChem CID115618777
Molecular FormulaC13H15Cl2N3O2
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC Name5,6-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCC(=O)N1CCCCC1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2N3O2/c14-10-6-9(7-16-12(10)15)13(20)17-8-11(19)18-4-2-1-3-5-18/h6-7H,1-5,8H2,(H,17,20)
InChIKeyOUDKSGDIJUKKJL-UHFFFAOYSA-N
XLogP2.13
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 52.13
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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Related Compounds

5,6-dichloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 60783145
6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 46525121
(2-oxo-2-piperidin-1-ylethyl) 5,6-dichloropyridine-3-carboxylate
CID 4112626
N-(2-bromoprop-2-enyl)-5,6-dichloropyridine-3-carboxamide
CID 47439184
2,5-dichloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 70640697
3-amino-4-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 112687673
5,6-dichloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 49167384
3,5-dibromo-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 103908567
3,5-dimethyl-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 2095565
5-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazine-2-carboxamide
CID 103803397
3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxamide
CID 112695851
3,4-dichloro-N-[2-oxo-2-(1,4-thiazepan-4-yl)ethyl]benzamide
CID 86846006

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide (CID 115618777) is 5,6-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide is O=C(NCC(=O)N1CCCCC1)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is OUDKSGDIJUKKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O2/c14-10-6-9(7-16-12(10)15)13(20)17-8-11(19)18-4-2-1-3-5-18/h6-7H,1-5,8H2,(H,17,20).
What are the key properties of 5,6-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide?
5,6-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 316.19 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 115618777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).