(E)-1-(5-methylfuran-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine

C15H18N4O — CID 6885660

IUPAC(E)-1-(5-methylfuran-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
SMILESCc1ccc(/C=N/N2CCN(c3ccccn3)CC2)o1
InChIInChI=1S/C15H18N4O/c1-13-5-6-14(20-13)12-17-19-10-8-18(9-11-19)15-4-2-3-7-16-15/h2-7,12H,8-11H2,1H3/b17-12+
InChIKeyLSUJUZQJFQYXLK-SFQUDFHCSA-N
MW270.34 g/mol
LogP2.14
Rot. Bonds3

About (E)-1-(5-methylfuran-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine

(E)-1-(5-methylfuran-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine (PubChem CID 6885660) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is (E)-1-(5-methylfuran-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(5-methylfuran-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
PubChem CID6885660
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name(E)-1-(5-methylfuran-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
SMILESCc1ccc(/C=N/N2CCN(c3ccccn3)CC2)o1
InChIInChI=1S/C15H18N4O/c1-13-5-6-14(20-13)12-17-19-10-8-18(9-11-19)15-4-2-3-7-16-15/h2-7,12H,8-11H2,1H3/b17-12+
InChIKeyLSUJUZQJFQYXLK-SFQUDFHCSA-N
XLogP2.14
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-furylmethyl)-4-(2-pyridinyl)-1-piperazinecarbothioamide
CID 970504
4-[(E)-(5-methylfuran-2-yl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione
CID 6859900
Furan-2-ylmethylene-(4-pyridin-2-yl-piperazin-1-yl)-amine
CID 5343017
(2,5-Dimethylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 1245848
(E)-3-(furan-2-yl)-N,N-dipyridin-2-ylprop-2-enamide
CID 5666777
N1-(2-Furanylmethyl)-N2,N2-dimethyl-N1-2-pyridinyl-1,2-ethanediamine
CID 21563
2-{4-[(5-Methyl-2-furyl)methyl]-1-piperazinyl}pyrimidine
CID 783224
2-{4-[3-(5-Methyl-2-furyl)acryloyl]-1-piperazinyl}pyrimidine
CID 887992
N-[2-(furan-2-yl)ethyl]pyridin-2-amine
CID 44410159
N-[(Z)-1-(furan-2-yl)ethylideneamino]-4-pyridin-2-ylpiperazine-1-carbothioamide
CID 44410387
N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 71866785
1-methyl-4-((5-methylfuran-2-yl)methyl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepine
CID 97468881

Frequently Asked Questions

What is the IUPAC name of (E)-1-(5-methylfuran-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
The IUPAC name of (E)-1-(5-methylfuran-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine (CID 6885660) is (E)-1-(5-methylfuran-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine.
What is the SMILES notation for (E)-1-(5-methylfuran-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
The canonical SMILES for (E)-1-(5-methylfuran-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine is Cc1ccc(/C=N/N2CCN(c3ccccn3)CC2)o1.
What is the InChIKey of (E)-1-(5-methylfuran-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
The InChIKey is LSUJUZQJFQYXLK-SFQUDFHCSA-N. The full InChI is InChI=1S/C15H18N4O/c1-13-5-6-14(20-13)12-17-19-10-8-18(9-11-19)15-4-2-3-7-16-15/h2-7,12H,8-11H2,1H3/b17-12+.
What are the key properties of (E)-1-(5-methylfuran-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
(E)-1-(5-methylfuran-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine has a molecular weight of 270.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(5-methylfuran-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine is sourced from PubChem (CID 6885660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).