N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide

C12H15N3O2 — CID 71893602

IUPACN-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCC(=O)NC2)n1
InChIInChI=1S/C12H15N3O2/c1-8-3-2-4-10(14-8)15-12(17)9-5-6-11(16)13-7-9/h2-4,9H,5-7H2,1H3,(H,13,16)(H,14,15,17)
InChIKeyRHVPKPOXVONNEQ-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.85
Rot. Bonds2

About N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide

N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide (PubChem CID 71893602) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide
PubChem CID71893602
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCC(=O)NC2)n1
InChIInChI=1S/C12H15N3O2/c1-8-3-2-4-10(14-8)15-12(17)9-5-6-11(16)13-7-9/h2-4,9H,5-7H2,1H3,(H,13,16)(H,14,15,17)
InChIKeyRHVPKPOXVONNEQ-UHFFFAOYSA-N
XLogP0.85
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide (CID 71893602) is N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide is Cc1cccc(NC(=O)C2CCC(=O)NC2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is RHVPKPOXVONNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-3-2-4-10(14-8)15-12(17)9-5-6-11(16)13-7-9/h2-4,9H,5-7H2,1H3,(H,13,16)(H,14,15,17).
What are the key properties of N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide?
N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 71893602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).