5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-methylpiperidine-2-carboxamide

C14H20ClN3O2 — CID 146323506

IUPAC5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-methylpiperidine-2-carboxamide
SMILESCCn1cc(NC(=O)C2CCC(Cl)C(C)N2)ccc1=O
InChIInChI=1S/C14H20ClN3O2/c1-3-18-8-10(4-7-13(18)19)17-14(20)12-6-5-11(15)9(2)16-12/h4,7-9,11-12,16H,3,5-6H2,1-2H3,(H,17,20)
InChIKeyXLLKDXZGTMDZNX-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.55
Rot. Bonds3

About 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-methylpiperidine-2-carboxamide

5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-methylpiperidine-2-carboxamide (PubChem CID 146323506) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-methylpiperidine-2-carboxamide
PubChem CID146323506
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-methylpiperidine-2-carboxamide
SMILESCCn1cc(NC(=O)C2CCC(Cl)C(C)N2)ccc1=O
InChIInChI=1S/C14H20ClN3O2/c1-3-18-8-10(4-7-13(18)19)17-14(20)12-6-5-11(15)9(2)16-12/h4,7-9,11-12,16H,3,5-6H2,1-2H3,(H,17,20)
InChIKeyXLLKDXZGTMDZNX-UHFFFAOYSA-N
XLogP1.55
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-methylpiperidine-2-carboxamide?
The IUPAC name of 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-methylpiperidine-2-carboxamide (CID 146323506) is 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-methylpiperidine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-methylpiperidine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-methylpiperidine-2-carboxamide is CCn1cc(NC(=O)C2CCC(Cl)C(C)N2)ccc1=O.
What is the InChIKey of 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-methylpiperidine-2-carboxamide?
The InChIKey is XLLKDXZGTMDZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-3-18-8-10(4-7-13(18)19)17-14(20)12-6-5-11(15)9(2)16-12/h4,7-9,11-12,16H,3,5-6H2,1-2H3,(H,17,20).
What are the key properties of 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-methylpiperidine-2-carboxamide?
5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-methylpiperidine-2-carboxamide has a molecular weight of 297.79 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-methylpiperidine-2-carboxamide is sourced from PubChem (CID 146323506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).