4-(5-amino-6-methyl-2-pyridinyl)piperidin-2-one

C11H15N3O — CID 53417884

IUPAC4-(5-amino-6-methyl-2-pyridinyl)piperidin-2-one
SMILESCc1nc(C2CCNC(=O)C2)ccc1N
InChIInChI=1S/C11H15N3O/c1-7-9(12)2-3-10(14-7)8-4-5-13-11(15)6-8/h2-3,8H,4-6,12H2,1H3,(H,13,15)
InChIKeyCQHUUPMRKMBNTB-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.97
Rot. Bonds1

About 4-(5-amino-6-methyl-2-pyridinyl)piperidin-2-one

4-(5-amino-6-methyl-2-pyridinyl)piperidin-2-one (PubChem CID 53417884) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-(5-amino-6-methyl-2-pyridinyl)piperidin-2-one.

Molecular Properties

Compound Name4-(5-amino-6-methyl-2-pyridinyl)piperidin-2-one
PubChem CID53417884
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name4-(5-amino-6-methyl-2-pyridinyl)piperidin-2-one
SMILESCc1nc(C2CCNC(=O)C2)ccc1N
InChIInChI=1S/C11H15N3O/c1-7-9(12)2-3-10(14-7)8-4-5-13-11(15)6-8/h2-3,8H,4-6,12H2,1H3,(H,13,15)
InChIKeyCQHUUPMRKMBNTB-UHFFFAOYSA-N
XLogP0.97
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-6-methyl-2-pyridinyl)piperidin-2-one?
The IUPAC name of 4-(5-amino-6-methyl-2-pyridinyl)piperidin-2-one (CID 53417884) is 4-(5-amino-6-methyl-2-pyridinyl)piperidin-2-one.
What is the SMILES notation for 4-(5-amino-6-methyl-2-pyridinyl)piperidin-2-one?
The canonical SMILES for 4-(5-amino-6-methyl-2-pyridinyl)piperidin-2-one is Cc1nc(C2CCNC(=O)C2)ccc1N.
What is the InChIKey of 4-(5-amino-6-methyl-2-pyridinyl)piperidin-2-one?
The InChIKey is CQHUUPMRKMBNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7-9(12)2-3-10(14-7)8-4-5-13-11(15)6-8/h2-3,8H,4-6,12H2,1H3,(H,13,15).
What are the key properties of 4-(5-amino-6-methyl-2-pyridinyl)piperidin-2-one?
4-(5-amino-6-methyl-2-pyridinyl)piperidin-2-one has a molecular weight of 205.26 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-6-methyl-2-pyridinyl)piperidin-2-one is sourced from PubChem (CID 53417884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).