3-methyl-N-(4-methyl-2-pyridinyl)piperidine-2-carboxamide

C13H19N3O — CID 107067167

IUPAC3-methyl-N-(4-methyl-2-pyridinyl)piperidine-2-carboxamide
SMILESCc1ccnc(NC(=O)C2NCCCC2C)c1
InChIInChI=1S/C13H19N3O/c1-9-5-7-14-11(8-9)16-13(17)12-10(2)4-3-6-15-12/h5,7-8,10,12,15H,3-4,6H2,1-2H3,(H,14,16,17)
InChIKeyDPTHMEBFIGIUSJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.72
Rot. Bonds2

About 3-methyl-N-(4-methyl-2-pyridinyl)piperidine-2-carboxamide

3-methyl-N-(4-methyl-2-pyridinyl)piperidine-2-carboxamide (PubChem CID 107067167) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-methyl-N-(4-methyl-2-pyridinyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(4-methyl-2-pyridinyl)piperidine-2-carboxamide
PubChem CID107067167
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-methyl-N-(4-methyl-2-pyridinyl)piperidine-2-carboxamide
SMILESCc1ccnc(NC(=O)C2NCCCC2C)c1
InChIInChI=1S/C13H19N3O/c1-9-5-7-14-11(8-9)16-13(17)12-10(2)4-3-6-15-12/h5,7-8,10,12,15H,3-4,6H2,1-2H3,(H,14,16,17)
InChIKeyDPTHMEBFIGIUSJ-UHFFFAOYSA-N
XLogP1.72
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methyl-2-pyridinyl)piperidine-2-carboxamide?
The IUPAC name of 3-methyl-N-(4-methyl-2-pyridinyl)piperidine-2-carboxamide (CID 107067167) is 3-methyl-N-(4-methyl-2-pyridinyl)piperidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(4-methyl-2-pyridinyl)piperidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-(4-methyl-2-pyridinyl)piperidine-2-carboxamide is Cc1ccnc(NC(=O)C2NCCCC2C)c1.
What is the InChIKey of 3-methyl-N-(4-methyl-2-pyridinyl)piperidine-2-carboxamide?
The InChIKey is DPTHMEBFIGIUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-5-7-14-11(8-9)16-13(17)12-10(2)4-3-6-15-12/h5,7-8,10,12,15H,3-4,6H2,1-2H3,(H,14,16,17).
What are the key properties of 3-methyl-N-(4-methyl-2-pyridinyl)piperidine-2-carboxamide?
3-methyl-N-(4-methyl-2-pyridinyl)piperidine-2-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methyl-2-pyridinyl)piperidine-2-carboxamide is sourced from PubChem (CID 107067167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).