1-methyl-4-[[4-(propylamino)-2-pyridinyl]methyl]piperazine-2,5-dione

C14H20N4O2 — CID 79941396

IUPAC1-methyl-4-[[4-(propylamino)-2-pyridinyl]methyl]piperazine-2,5-dione
SMILESCCCNc1ccnc(CN2CC(=O)N(C)CC2=O)c1
InChIInChI=1S/C14H20N4O2/c1-3-5-15-11-4-6-16-12(7-11)8-18-10-13(19)17(2)9-14(18)20/h4,6-7H,3,5,8-10H2,1-2H3,(H,15,16)
InChIKeyKCZAWKXBHFJKHK-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.70
Rot. Bonds5

About 1-methyl-4-[[4-(propylamino)-2-pyridinyl]methyl]piperazine-2,5-dione

1-methyl-4-[[4-(propylamino)-2-pyridinyl]methyl]piperazine-2,5-dione (PubChem CID 79941396) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-methyl-4-[[4-(propylamino)-2-pyridinyl]methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1-methyl-4-[[4-(propylamino)-2-pyridinyl]methyl]piperazine-2,5-dione
PubChem CID79941396
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-methyl-4-[[4-(propylamino)-2-pyridinyl]methyl]piperazine-2,5-dione
SMILESCCCNc1ccnc(CN2CC(=O)N(C)CC2=O)c1
InChIInChI=1S/C14H20N4O2/c1-3-5-15-11-4-6-16-12(7-11)8-18-10-13(19)17(2)9-14(18)20/h4,6-7H,3,5,8-10H2,1-2H3,(H,15,16)
InChIKeyKCZAWKXBHFJKHK-UHFFFAOYSA-N
XLogP0.70
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[4-(propylamino)-2-pyridinyl]methyl]piperazine-2,5-dione?
The IUPAC name of 1-methyl-4-[[4-(propylamino)-2-pyridinyl]methyl]piperazine-2,5-dione (CID 79941396) is 1-methyl-4-[[4-(propylamino)-2-pyridinyl]methyl]piperazine-2,5-dione.
What is the SMILES notation for 1-methyl-4-[[4-(propylamino)-2-pyridinyl]methyl]piperazine-2,5-dione?
The canonical SMILES for 1-methyl-4-[[4-(propylamino)-2-pyridinyl]methyl]piperazine-2,5-dione is CCCNc1ccnc(CN2CC(=O)N(C)CC2=O)c1.
What is the InChIKey of 1-methyl-4-[[4-(propylamino)-2-pyridinyl]methyl]piperazine-2,5-dione?
The InChIKey is KCZAWKXBHFJKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-3-5-15-11-4-6-16-12(7-11)8-18-10-13(19)17(2)9-14(18)20/h4,6-7H,3,5,8-10H2,1-2H3,(H,15,16).
What are the key properties of 1-methyl-4-[[4-(propylamino)-2-pyridinyl]methyl]piperazine-2,5-dione?
1-methyl-4-[[4-(propylamino)-2-pyridinyl]methyl]piperazine-2,5-dione has a molecular weight of 276.34 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[4-(propylamino)-2-pyridinyl]methyl]piperazine-2,5-dione is sourced from PubChem (CID 79941396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).