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

C13H18ClN3O2 — CID 146323250

IUPAC6-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-2-carboxamide
SMILESCCn1cc(NC(=O)C2CCCC(Cl)N2)ccc1=O
InChIInChI=1S/C13H18ClN3O2/c1-2-17-8-9(6-7-12(17)18)15-13(19)10-4-3-5-11(14)16-10/h6-8,10-11,16H,2-5H2,1H3,(H,15,19)
InChIKeyNPVGOGHLCMUFAT-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.51
Rot. Bonds3

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

6-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-2-carboxamide (PubChem CID 146323250) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 6-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-2-carboxamide
PubChem CID146323250
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name6-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-2-carboxamide
SMILESCCn1cc(NC(=O)C2CCCC(Cl)N2)ccc1=O
InChIInChI=1S/C13H18ClN3O2/c1-2-17-8-9(6-7-12(17)18)15-13(19)10-4-3-5-11(14)16-10/h6-8,10-11,16H,2-5H2,1H3,(H,15,19)
InChIKeyNPVGOGHLCMUFAT-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-2-carboxamide?
The IUPAC name of 6-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-2-carboxamide (CID 146323250) is 6-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-2-carboxamide is CCn1cc(NC(=O)C2CCCC(Cl)N2)ccc1=O.
What is the InChIKey of 6-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-2-carboxamide?
The InChIKey is NPVGOGHLCMUFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-2-17-8-9(6-7-12(17)18)15-13(19)10-4-3-5-11(14)16-10/h6-8,10-11,16H,2-5H2,1H3,(H,15,19).
What are the key properties of 6-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-2-carboxamide?
6-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-2-carboxamide has a molecular weight of 283.76 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-2-carboxamide is sourced from PubChem (CID 146323250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).