(3E,6Z)-3-benzylidene-6-[(5-methyl-2-pyridinyl)methylidene]piperazine-2,5-dione

C18H15N3O2 — CID 20597820

IUPAC(3E,6Z)-3-benzylidene-6-[(5-methyl-2-pyridinyl)methylidene]piperazine-2,5-dione
SMILESCc1ccc(/C=c2\[nH]c(=O)/c(=C\c3ccccc3)[nH]c2=O)nc1
InChIInChI=1S/C18H15N3O2/c1-12-7-8-14(19-11-12)10-16-18(23)20-15(17(22)21-16)9-13-5-3-2-4-6-13/h2-11H,1H3,(H,20,23)(H,21,22)/b15-9+,16-10-
InChIKeyIRSASQIKGRPFMG-TYVLLQCESA-N
MW305.34 g/mol
LogP0.42
Rot. Bonds2

About (3E,6Z)-3-benzylidene-6-[(5-methyl-2-pyridinyl)methylidene]piperazine-2,5-dione

(3E,6Z)-3-benzylidene-6-[(5-methyl-2-pyridinyl)methylidene]piperazine-2,5-dione (PubChem CID 20597820) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is (3E,6Z)-3-benzylidene-6-[(5-methyl-2-pyridinyl)methylidene]piperazine-2,5-dione.

Molecular Properties

Compound Name(3E,6Z)-3-benzylidene-6-[(5-methyl-2-pyridinyl)methylidene]piperazine-2,5-dione
PubChem CID20597820
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name(3E,6Z)-3-benzylidene-6-[(5-methyl-2-pyridinyl)methylidene]piperazine-2,5-dione
SMILESCc1ccc(/C=c2\[nH]c(=O)/c(=C\c3ccccc3)[nH]c2=O)nc1
InChIInChI=1S/C18H15N3O2/c1-12-7-8-14(19-11-12)10-16-18(23)20-15(17(22)21-16)9-13-5-3-2-4-6-13/h2-11H,1H3,(H,20,23)(H,21,22)/b15-9+,16-10-
InChIKeyIRSASQIKGRPFMG-TYVLLQCESA-N
XLogP0.42
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3Z,6E)-3-[(5-methyl-2-pyridinyl)methylidene]-6-(thiophen-2-ylmethylidene)piperazine-2,5-dione
CID 20597817
(3E,6E)-3,6-dibenzylidenepiperazine-2,5-dione
CID 6992142
(3E,6Z)-3-benzylidene-6-[[5-(pyridin-4-ylmethoxy)-2-pyridinyl]methylidene]piperazine-2,5-dione
CID 70662761
(3Z,6Z)-3-benzylidene-6-[(5-methyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione
CID 56955044
3-[(3-hydroxy-5-methylphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione
CID 72647892
3-benzylidene-6-propylidenepiperazine-2,5-dione
CID 3866178
3-[(3,5-dimethoxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione
CID 69422895
(3E,6E)-3-benzylidene-6-[(E)-but-2-enylidene]piperazine-2,5-dione
CID 54610923
(3E,6E)-3-benzylidene-6-but-2-enylidenepiperazine-2,5-dione
CID 5359203
(3E,6Z)-3-[(5-hydroxy-2-pyridinyl)methylidene]-6-(2-phenylethylidene)piperazine-2,5-dione
CID 69132343
(3E,6E)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione
CID 21031472
[6-[[(5Z)-5-benzylidene-3,6-dioxopiperazin-2-ylidene]methyl]-3-pyridinyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 70662763

Frequently Asked Questions

What is the IUPAC name of (3E,6Z)-3-benzylidene-6-[(5-methyl-2-pyridinyl)methylidene]piperazine-2,5-dione?
The IUPAC name of (3E,6Z)-3-benzylidene-6-[(5-methyl-2-pyridinyl)methylidene]piperazine-2,5-dione (CID 20597820) is (3E,6Z)-3-benzylidene-6-[(5-methyl-2-pyridinyl)methylidene]piperazine-2,5-dione.
What is the SMILES notation for (3E,6Z)-3-benzylidene-6-[(5-methyl-2-pyridinyl)methylidene]piperazine-2,5-dione?
The canonical SMILES for (3E,6Z)-3-benzylidene-6-[(5-methyl-2-pyridinyl)methylidene]piperazine-2,5-dione is Cc1ccc(/C=c2\[nH]c(=O)/c(=C\c3ccccc3)[nH]c2=O)nc1.
What is the InChIKey of (3E,6Z)-3-benzylidene-6-[(5-methyl-2-pyridinyl)methylidene]piperazine-2,5-dione?
The InChIKey is IRSASQIKGRPFMG-TYVLLQCESA-N. The full InChI is InChI=1S/C18H15N3O2/c1-12-7-8-14(19-11-12)10-16-18(23)20-15(17(22)21-16)9-13-5-3-2-4-6-13/h2-11H,1H3,(H,20,23)(H,21,22)/b15-9+,16-10-.
What are the key properties of (3E,6Z)-3-benzylidene-6-[(5-methyl-2-pyridinyl)methylidene]piperazine-2,5-dione?
(3E,6Z)-3-benzylidene-6-[(5-methyl-2-pyridinyl)methylidene]piperazine-2,5-dione has a molecular weight of 305.34 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6Z)-3-benzylidene-6-[(5-methyl-2-pyridinyl)methylidene]piperazine-2,5-dione is sourced from PubChem (CID 20597820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).