4-[3,5-dichloro-6-(propylamino)-2-pyridinyl]-1-methylpiperazin-2-one

C13H18Cl2N4O — CID 102758611

IUPAC4-[3,5-dichloro-6-(propylamino)-2-pyridinyl]-1-methylpiperazin-2-one
SMILESCCCNc1nc(N2CCN(C)C(=O)C2)c(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N4O/c1-3-4-16-12-9(14)7-10(15)13(17-12)19-6-5-18(2)11(20)8-19/h7H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyDCJYYQZULJZDOT-UHFFFAOYSA-N
MW317.22 g/mol
LogP2.49
Rot. Bonds4

About 4-[3,5-dichloro-6-(propylamino)-2-pyridinyl]-1-methylpiperazin-2-one

4-[3,5-dichloro-6-(propylamino)-2-pyridinyl]-1-methylpiperazin-2-one (PubChem CID 102758611) has the molecular formula C13H18Cl2N4O and a molecular weight of 317.22 g/mol. Its IUPAC name is 4-[3,5-dichloro-6-(propylamino)-2-pyridinyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[3,5-dichloro-6-(propylamino)-2-pyridinyl]-1-methylpiperazin-2-one
PubChem CID102758611
Molecular FormulaC13H18Cl2N4O
Molecular Weight317.22 g/mol
Exact Mass316.09
IUPAC Name4-[3,5-dichloro-6-(propylamino)-2-pyridinyl]-1-methylpiperazin-2-one
SMILESCCCNc1nc(N2CCN(C)C(=O)C2)c(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N4O/c1-3-4-16-12-9(14)7-10(15)13(17-12)19-6-5-18(2)11(20)8-19/h7H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyDCJYYQZULJZDOT-UHFFFAOYSA-N
XLogP2.49
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3,5-dichloro-6-(propylamino)-2-pyridinyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[3,5-dichloro-6-(propylamino)-2-pyridinyl]-1-methylpiperazin-2-one (CID 102758611) is 4-[3,5-dichloro-6-(propylamino)-2-pyridinyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[3,5-dichloro-6-(propylamino)-2-pyridinyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[3,5-dichloro-6-(propylamino)-2-pyridinyl]-1-methylpiperazin-2-one is CCCNc1nc(N2CCN(C)C(=O)C2)c(Cl)cc1Cl.
What is the InChIKey of 4-[3,5-dichloro-6-(propylamino)-2-pyridinyl]-1-methylpiperazin-2-one?
The InChIKey is DCJYYQZULJZDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N4O/c1-3-4-16-12-9(14)7-10(15)13(17-12)19-6-5-18(2)11(20)8-19/h7H,3-6,8H2,1-2H3,(H,16,17).
What are the key properties of 4-[3,5-dichloro-6-(propylamino)-2-pyridinyl]-1-methylpiperazin-2-one?
4-[3,5-dichloro-6-(propylamino)-2-pyridinyl]-1-methylpiperazin-2-one has a molecular weight of 317.22 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-dichloro-6-(propylamino)-2-pyridinyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 102758611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).