N-ethyl-N'-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-phenylpiperazine-1-carboximidamide

C25H37N7 — CID 110960785

IUPACN-ethyl-N'-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-phenylpiperazine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccc(N2CCN(CC)CC2)nc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H37N7/c1-3-26-25(32-18-16-30(17-19-32)23-8-6-5-7-9-23)28-21-22-10-11-24(27-20-22)31-14-12-29(4-2)13-15-31/h5-11,20H,3-4,12-19,21H2,1-2H3,(H,26,28)
InChIKeyGEZWMCIDXDFFDM-UHFFFAOYSA-N
MW435.62 g/mol
LogP2.51
Rot. Bonds6

About N-ethyl-N'-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-phenylpiperazine-1-carboximidamide

N-ethyl-N'-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-phenylpiperazine-1-carboximidamide (PubChem CID 110960785) has the molecular formula C25H37N7 and a molecular weight of 435.62 g/mol. Its IUPAC name is N-ethyl-N'-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-phenylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-phenylpiperazine-1-carboximidamide
PubChem CID110960785
Molecular FormulaC25H37N7
Molecular Weight435.62 g/mol
Exact Mass435.31
IUPAC NameN-ethyl-N'-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-phenylpiperazine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccc(N2CCN(CC)CC2)nc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H37N7/c1-3-26-25(32-18-16-30(17-19-32)23-8-6-5-7-9-23)28-21-22-10-11-24(27-20-22)31-14-12-29(4-2)13-15-31/h5-11,20H,3-4,12-19,21H2,1-2H3,(H,26,28)
InChIKeyGEZWMCIDXDFFDM-UHFFFAOYSA-N
XLogP2.51
TPSA50.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.62
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4-phenyl-N'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 110960640
4-benzyl-N-ethyl-N'-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 110959548
N-ethyl-4-(2-hydroxyphenyl)-N'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide
CID 111186250
N-ethyl-N'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110955079
N-ethyl-4-(3-methoxyphenyl)-N'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111290858
N-ethyl-N'-[[4-(methoxymethyl)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide
CID 110960789
N-ethyl-4-(2-fluorophenyl)-N'-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 111148180
N-ethyl-4-(2-methoxyphenyl)-N'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide
CID 111133857
1-ethyl-2-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-prop-2-enylguanidine
CID 110979966
N'-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219781
N-ethyl-N'-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111221437
N-ethyl-4-phenyl-N'-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 110962078

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-phenylpiperazine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-phenylpiperazine-1-carboximidamide (CID 110960785) is N-ethyl-N'-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-phenylpiperazine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-phenylpiperazine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-phenylpiperazine-1-carboximidamide is CCN/C(=N\Cc1ccc(N2CCN(CC)CC2)nc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-ethyl-N'-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-phenylpiperazine-1-carboximidamide?
The InChIKey is GEZWMCIDXDFFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N7/c1-3-26-25(32-18-16-30(17-19-32)23-8-6-5-7-9-23)28-21-22-10-11-24(27-20-22)31-14-12-29(4-2)13-15-31/h5-11,20H,3-4,12-19,21H2,1-2H3,(H,26,28).
What are the key properties of N-ethyl-N'-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-phenylpiperazine-1-carboximidamide?
N-ethyl-N'-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-phenylpiperazine-1-carboximidamide has a molecular weight of 435.62 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-phenylpiperazine-1-carboximidamide is sourced from PubChem (CID 110960785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).