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

C15H19N5 — CID 6869368

IUPAC(E)-1-(1-methylpyrrol-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
SMILESCn1cccc1/C=N/N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H19N5/c1-18-8-4-5-14(18)13-17-20-11-9-19(10-12-20)15-6-2-3-7-16-15/h2-8,13H,9-12H2,1H3/b17-13+
InChIKeySOSMYCLKUZHNOA-GHRIWEEISA-N
MW269.35 g/mol
LogP1.58
Rot. Bonds3

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

(E)-1-(1-methylpyrrol-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine (PubChem CID 6869368) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is (E)-1-(1-methylpyrrol-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(1-methylpyrrol-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
PubChem CID6869368
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name(E)-1-(1-methylpyrrol-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
SMILESCn1cccc1/C=N/N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H19N5/c1-18-8-4-5-14(18)13-17-20-11-9-19(10-12-20)15-6-2-3-7-16-15/h2-8,13H,9-12H2,1H3/b17-13+
InChIKeySOSMYCLKUZHNOA-GHRIWEEISA-N
XLogP1.58
TPSA36.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'hzone_pyrrol(64)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-Amino-3,5-di-2-pyridyl-4H-1,2,4-triazole
CID 571203
3-Methyl-1-(pyridin-2-yl)-1H-pyrazol-5-amine
CID 735132
2,4-Diamino-6-(2-pyridyl)-1,3,5-triazine
CID 212817
1-(3-Fluoropyridin-2-yl)-4-methylpiperazine
CID 13298530
3-(2-Methyl-1H-imidazol-1-yl)pyridine
CID 16654686
4-(2-pyridinyl)-N-(2-pyridinylmethylene)-1-piperazinamine
CID 5336781
N,N-dimethyl-4-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]aniline
CID 5342813
5-Chloro-4-methyl-2-pyridin-2-yl-6-pyrrolidin-1-ylpyrimidine
CID 2740171
1-Methyl-4-(pyridin-2-yl)piperazine
CID 14954817
1,4-Di(2-pyridyl)piperazine
CID 231897
PD-135222
CID 15079632
3-(5-methyl-1H-imidazol-1-yl)pyridine
CID 23646070

Frequently Asked Questions

What is the IUPAC name of (E)-1-(1-methylpyrrol-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
The IUPAC name of (E)-1-(1-methylpyrrol-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine (CID 6869368) is (E)-1-(1-methylpyrrol-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine.
What is the SMILES notation for (E)-1-(1-methylpyrrol-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
The canonical SMILES for (E)-1-(1-methylpyrrol-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine is Cn1cccc1/C=N/N1CCN(c2ccccn2)CC1.
What is the InChIKey of (E)-1-(1-methylpyrrol-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
The InChIKey is SOSMYCLKUZHNOA-GHRIWEEISA-N. The full InChI is InChI=1S/C15H19N5/c1-18-8-4-5-14(18)13-17-20-11-9-19(10-12-20)15-6-2-3-7-16-15/h2-8,13H,9-12H2,1H3/b17-13+.
What are the key properties of (E)-1-(1-methylpyrrol-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
(E)-1-(1-methylpyrrol-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine has a molecular weight of 269.35 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1-methylpyrrol-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine is sourced from PubChem (CID 6869368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).