N-ethyl-4-pyridin-2-yl-N'-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperazine-1-carboximidamide

C20H26F3N7 — CID 111220649

IUPACN-ethyl-4-pyridin-2-yl-N'-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperazine-1-carboximidamide
SMILESCCN/C(=N\CCNc1ncccc1C(F)(F)F)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H26F3N7/c1-2-24-19(30-14-12-29(13-15-30)17-7-3-4-8-25-17)28-11-10-27-18-16(20(21,22)23)6-5-9-26-18/h3-9H,2,10-15H2,1H3,(H,24,28)(H,26,27)
InChIKeyFWAAFIYXWZQUOJ-UHFFFAOYSA-N
MW421.47 g/mol
LogP2.69
Rot. Bonds6

About N-ethyl-4-pyridin-2-yl-N'-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperazine-1-carboximidamide

N-ethyl-4-pyridin-2-yl-N'-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperazine-1-carboximidamide (PubChem CID 111220649) has the molecular formula C20H26F3N7 and a molecular weight of 421.47 g/mol. Its IUPAC name is N-ethyl-4-pyridin-2-yl-N'-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-4-pyridin-2-yl-N'-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperazine-1-carboximidamide
PubChem CID111220649
Molecular FormulaC20H26F3N7
Molecular Weight421.47 g/mol
Exact Mass421.22
IUPAC NameN-ethyl-4-pyridin-2-yl-N'-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperazine-1-carboximidamide
SMILESCCN/C(=N\CCNc1ncccc1C(F)(F)F)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H26F3N7/c1-2-24-19(30-14-12-29(13-15-30)17-7-3-4-8-25-17)28-11-10-27-18-16(20(21,22)23)6-5-9-26-18/h3-9H,2,10-15H2,1H3,(H,24,28)(H,26,27)
InChIKeyFWAAFIYXWZQUOJ-UHFFFAOYSA-N
XLogP2.69
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-pyridin-2-yl-N'-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide;hydroiodide
CID 111983962
N-[2-[[ethylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]ethyl]benzamide;hydroiodide
CID 111220774
N-ethyl-N'-(2-methoxyethyl)-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219949
N-ethyl-N'-(2-pyrazol-1-ylethyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111221696
N-ethyl-4-pyridin-2-yl-N'-[4-(pyridin-2-ylamino)butyl]piperazine-1-carboximidamide;hydroiodide
CID 111219166
N-ethyl-4-pyridin-2-yl-N'-(4-pyrrolidin-1-ylbutyl)piperazine-1-carboximidamide
CID 111221185
3-[[ethylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]-2,2-dimethylpropanamide
CID 111220489
N-ethyl-N'-(2-phenoxyethyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219578
N'-[2-[di(propan-2-yl)amino]ethyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219101
2-[[ethylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111219921
N-cyclopropyl-4-[[ethylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]butanamide
CID 111219601
N-ethyl-N'-(3-phenoxypropyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219550

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-pyridin-2-yl-N'-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperazine-1-carboximidamide?
The IUPAC name of N-ethyl-4-pyridin-2-yl-N'-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperazine-1-carboximidamide (CID 111220649) is N-ethyl-4-pyridin-2-yl-N'-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperazine-1-carboximidamide.
What is the SMILES notation for N-ethyl-4-pyridin-2-yl-N'-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperazine-1-carboximidamide?
The canonical SMILES for N-ethyl-4-pyridin-2-yl-N'-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperazine-1-carboximidamide is CCN/C(=N\CCNc1ncccc1C(F)(F)F)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-ethyl-4-pyridin-2-yl-N'-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperazine-1-carboximidamide?
The InChIKey is FWAAFIYXWZQUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N7/c1-2-24-19(30-14-12-29(13-15-30)17-7-3-4-8-25-17)28-11-10-27-18-16(20(21,22)23)6-5-9-26-18/h3-9H,2,10-15H2,1H3,(H,24,28)(H,26,27).
What are the key properties of N-ethyl-4-pyridin-2-yl-N'-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperazine-1-carboximidamide?
N-ethyl-4-pyridin-2-yl-N'-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperazine-1-carboximidamide has a molecular weight of 421.47 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-pyridin-2-yl-N'-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperazine-1-carboximidamide is sourced from PubChem (CID 111220649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).