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

C13H18ClN3O2 — CID 146323239

IUPAC5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide
SMILESCCn1cc(NC(=O)C2CNCC(Cl)C2)ccc1=O
InChIInChI=1S/C13H18ClN3O2/c1-2-17-8-11(3-4-12(17)18)16-13(19)9-5-10(14)7-15-6-9/h3-4,8-10,15H,2,5-7H2,1H3,(H,16,19)
InChIKeyVCTIQNZBYOFCQT-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.02
Rot. Bonds3

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

5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide (PubChem CID 146323239) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide
PubChem CID146323239
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide
SMILESCCn1cc(NC(=O)C2CNCC(Cl)C2)ccc1=O
InChIInChI=1S/C13H18ClN3O2/c1-2-17-8-11(3-4-12(17)18)16-13(19)9-5-10(14)7-15-6-9/h3-4,8-10,15H,2,5-7H2,1H3,(H,16,19)
InChIKeyVCTIQNZBYOFCQT-UHFFFAOYSA-N
XLogP1.02
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.02
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)piperidine-3-carboxamide?
The IUPAC name of 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide (CID 146323239) is 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide is CCn1cc(NC(=O)C2CNCC(Cl)C2)ccc1=O.
What is the InChIKey of 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide?
The InChIKey is VCTIQNZBYOFCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-2-17-8-11(3-4-12(17)18)16-13(19)9-5-10(14)7-15-6-9/h3-4,8-10,15H,2,5-7H2,1H3,(H,16,19).
What are the key properties of 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide?
5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide has a molecular weight of 283.76 g/mol, XLogP of 1.02, 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)piperidine-3-carboxamide is sourced from PubChem (CID 146323239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).