6-(methylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-2-carboxamide

C13H18N4O2 — CID 64669451

IUPAC6-(methylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-2-carboxamide
SMILESCNc1cccc(C(=O)NC2CCC(=O)N(C)C2)n1
InChIInChI=1S/C13H18N4O2/c1-14-11-5-3-4-10(16-11)13(19)15-9-6-7-12(18)17(2)8-9/h3-5,9H,6-8H2,1-2H3,(H,14,16)(H,15,19)
InChIKeyKBGBDEMDEJIJPQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.47
Rot. Bonds3

About 6-(methylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-2-carboxamide

6-(methylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-2-carboxamide (PubChem CID 64669451) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 6-(methylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(methylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-2-carboxamide
PubChem CID64669451
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name6-(methylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-2-carboxamide
SMILESCNc1cccc(C(=O)NC2CCC(=O)N(C)C2)n1
InChIInChI=1S/C13H18N4O2/c1-14-11-5-3-4-10(16-11)13(19)15-9-6-7-12(18)17(2)8-9/h3-5,9H,6-8H2,1-2H3,(H,14,16)(H,15,19)
InChIKeyKBGBDEMDEJIJPQ-UHFFFAOYSA-N
XLogP0.47
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-2-carboxamide?
The IUPAC name of 6-(methylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-2-carboxamide (CID 64669451) is 6-(methylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(methylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-(methylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-2-carboxamide is CNc1cccc(C(=O)NC2CCC(=O)N(C)C2)n1.
What is the InChIKey of 6-(methylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-2-carboxamide?
The InChIKey is KBGBDEMDEJIJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-14-11-5-3-4-10(16-11)13(19)15-9-6-7-12(18)17(2)8-9/h3-5,9H,6-8H2,1-2H3,(H,14,16)(H,15,19).
What are the key properties of 6-(methylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-2-carboxamide?
6-(methylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-2-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 64669451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).