1-(1,4-dimethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide

C13H19N3O2 — CID 172818217

IUPAC1-(1,4-dimethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide
SMILESCc1cc(=O)n(C)cc1N1CCCC(C(N)=O)C1
InChIInChI=1S/C13H19N3O2/c1-9-6-12(17)15(2)8-11(9)16-5-3-4-10(7-16)13(14)18/h6,8,10H,3-5,7H2,1-2H3,(H2,14,18)
InChIKeyTVZJDJRECYJFED-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.40
Rot. Bonds2

About 1-(1,4-dimethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide

1-(1,4-dimethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide (PubChem CID 172818217) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(1,4-dimethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,4-dimethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide
PubChem CID172818217
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-(1,4-dimethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide
SMILESCc1cc(=O)n(C)cc1N1CCCC(C(N)=O)C1
InChIInChI=1S/C13H19N3O2/c1-9-6-12(17)15(2)8-11(9)16-5-3-4-10(7-16)13(14)18/h6,8,10H,3-5,7H2,1-2H3,(H2,14,18)
InChIKeyTVZJDJRECYJFED-UHFFFAOYSA-N
XLogP0.40
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1,4-dimethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide (CID 172818217) is 1-(1,4-dimethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1,4-dimethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1,4-dimethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide is Cc1cc(=O)n(C)cc1N1CCCC(C(N)=O)C1.
What is the InChIKey of 1-(1,4-dimethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide?
The InChIKey is TVZJDJRECYJFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-6-12(17)15(2)8-11(9)16-5-3-4-10(7-16)13(14)18/h6,8,10H,3-5,7H2,1-2H3,(H2,14,18).
What are the key properties of 1-(1,4-dimethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide?
1-(1,4-dimethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 172818217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).