3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]piperidin-2-one

C13H18Cl2N4O — CID 102757774

IUPAC3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]piperidin-2-one
SMILESCCCNc1nc(NC2CCCNC2=O)c(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N4O/c1-2-5-16-11-8(14)7-9(15)12(19-11)18-10-4-3-6-17-13(10)20/h7,10H,2-6H2,1H3,(H,17,20)(H2,16,18,19)
InChIKeyUMRGZANKUCFXSL-UHFFFAOYSA-N
MW317.22 g/mol
LogP2.90
Rot. Bonds5

About 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]piperidin-2-one

3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]piperidin-2-one (PubChem CID 102757774) has the molecular formula C13H18Cl2N4O and a molecular weight of 317.22 g/mol. Its IUPAC name is 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]piperidin-2-one.

Molecular Properties

Compound Name3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]piperidin-2-one
PubChem CID102757774
Molecular FormulaC13H18Cl2N4O
Molecular Weight317.22 g/mol
Exact Mass316.09
IUPAC Name3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]piperidin-2-one
SMILESCCCNc1nc(NC2CCCNC2=O)c(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N4O/c1-2-5-16-11-8(14)7-9(15)12(19-11)18-10-4-3-6-17-13(10)20/h7,10H,2-6H2,1H3,(H,17,20)(H2,16,18,19)
InChIKeyUMRGZANKUCFXSL-UHFFFAOYSA-N
XLogP2.90
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]piperidin-2-one?
The IUPAC name of 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]piperidin-2-one (CID 102757774) is 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]piperidin-2-one.
What is the SMILES notation for 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]piperidin-2-one?
The canonical SMILES for 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]piperidin-2-one is CCCNc1nc(NC2CCCNC2=O)c(Cl)cc1Cl.
What is the InChIKey of 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]piperidin-2-one?
The InChIKey is UMRGZANKUCFXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N4O/c1-2-5-16-11-8(14)7-9(15)12(19-11)18-10-4-3-6-17-13(10)20/h7,10H,2-6H2,1H3,(H,17,20)(H2,16,18,19).
What are the key properties of 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]piperidin-2-one?
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]piperidin-2-one has a molecular weight of 317.22 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]piperidin-2-one is sourced from PubChem (CID 102757774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).