1-methyl-5-[(1-pyridin-4-ylpiperidin-4-yl)amino]pyridin-2-one

C16H20N4O — CID 60932217

IUPAC1-methyl-5-[(1-pyridin-4-ylpiperidin-4-yl)amino]pyridin-2-one
SMILESCn1cc(NC2CCN(c3ccncc3)CC2)ccc1=O
InChIInChI=1S/C16H20N4O/c1-19-12-14(2-3-16(19)21)18-13-6-10-20(11-7-13)15-4-8-17-9-5-15/h2-5,8-9,12-13,18H,6-7,10-11H2,1H3
InChIKeyXEKHADSDXBIOGF-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.86
Rot. Bonds3

About 1-methyl-5-[(1-pyridin-4-ylpiperidin-4-yl)amino]pyridin-2-one

1-methyl-5-[(1-pyridin-4-ylpiperidin-4-yl)amino]pyridin-2-one (PubChem CID 60932217) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-methyl-5-[(1-pyridin-4-ylpiperidin-4-yl)amino]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[(1-pyridin-4-ylpiperidin-4-yl)amino]pyridin-2-one
PubChem CID60932217
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-methyl-5-[(1-pyridin-4-ylpiperidin-4-yl)amino]pyridin-2-one
SMILESCn1cc(NC2CCN(c3ccncc3)CC2)ccc1=O
InChIInChI=1S/C16H20N4O/c1-19-12-14(2-3-16(19)21)18-13-6-10-20(11-7-13)15-4-8-17-9-5-15/h2-5,8-9,12-13,18H,6-7,10-11H2,1H3
InChIKeyXEKHADSDXBIOGF-UHFFFAOYSA-N
XLogP1.86
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(1-pyridin-4-ylpiperidin-4-yl)amino]pyridin-2-one?
The IUPAC name of 1-methyl-5-[(1-pyridin-4-ylpiperidin-4-yl)amino]pyridin-2-one (CID 60932217) is 1-methyl-5-[(1-pyridin-4-ylpiperidin-4-yl)amino]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[(1-pyridin-4-ylpiperidin-4-yl)amino]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[(1-pyridin-4-ylpiperidin-4-yl)amino]pyridin-2-one is Cn1cc(NC2CCN(c3ccncc3)CC2)ccc1=O.
What is the InChIKey of 1-methyl-5-[(1-pyridin-4-ylpiperidin-4-yl)amino]pyridin-2-one?
The InChIKey is XEKHADSDXBIOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-19-12-14(2-3-16(19)21)18-13-6-10-20(11-7-13)15-4-8-17-9-5-15/h2-5,8-9,12-13,18H,6-7,10-11H2,1H3.
What are the key properties of 1-methyl-5-[(1-pyridin-4-ylpiperidin-4-yl)amino]pyridin-2-one?
1-methyl-5-[(1-pyridin-4-ylpiperidin-4-yl)amino]pyridin-2-one has a molecular weight of 284.36 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(1-pyridin-4-ylpiperidin-4-yl)amino]pyridin-2-one is sourced from PubChem (CID 60932217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).