4-(furan-2-carbonyl)-N'-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperazine-1-carboximidamide

C20H25F3N6O2 — CID 111168900

IUPAC4-(furan-2-carbonyl)-N'-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperazine-1-carboximidamide
SMILESC/N=C(\NCCCNc1ccc(C(F)(F)F)cn1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H25F3N6O2/c1-24-19(29-11-9-28(10-12-29)18(30)16-4-2-13-31-16)26-8-3-7-25-17-6-5-15(14-27-17)20(21,22)23/h2,4-6,13-14H,3,7-12H2,1H3,(H,24,26)(H,25,27)
InChIKeyZVXBCJAAMOOIOL-UHFFFAOYSA-N
MW438.45 g/mol
LogP2.53
Rot. Bonds6

About 4-(furan-2-carbonyl)-N'-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperazine-1-carboximidamide

4-(furan-2-carbonyl)-N'-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperazine-1-carboximidamide (PubChem CID 111168900) has the molecular formula C20H25F3N6O2 and a molecular weight of 438.45 g/mol. Its IUPAC name is 4-(furan-2-carbonyl)-N'-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(furan-2-carbonyl)-N'-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperazine-1-carboximidamide
PubChem CID111168900
Molecular FormulaC20H25F3N6O2
Molecular Weight438.45 g/mol
Exact Mass438.20
IUPAC Name4-(furan-2-carbonyl)-N'-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperazine-1-carboximidamide
SMILESC/N=C(\NCCCNc1ccc(C(F)(F)F)cn1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H25F3N6O2/c1-24-19(29-11-9-28(10-12-29)18(30)16-4-2-13-31-16)26-8-3-7-25-17-6-5-15(14-27-17)20(21,22)23/h2,4-6,13-14H,3,7-12H2,1H3,(H,24,26)(H,25,27)
InChIKeyZVXBCJAAMOOIOL-UHFFFAOYSA-N
XLogP2.53
TPSA86.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 52.53
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'}

Analyze 4-(furan-2-carbonyl)-N'-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperazine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(furan-2-carbonyl)-N'-methyl-N-[2-(pyrazin-2-ylamino)ethyl]piperazine-1-carboximidamide
CID 119130447
N-butyl-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111166854
4-(furan-2-carbonyl)-N'-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 119130496
4-(furan-2-carbonyl)-N'-methyl-N-(3-methylsulfonylpropyl)piperazine-1-carboximidamide
CID 111166347
4-(furan-2-carbonyl)-N'-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]piperazine-1-carboximidamide
CID 111168013
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 111511341
4-(furan-2-carbonyl)-N-[3-(4-methoxyphenoxy)propyl]-N'-methylpiperazine-1-carboximidamide
CID 111167107
N-[4-(4-fluorophenoxy)butyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111166886
4-(furan-2-carbonyl)-N'-methyl-N-(3-methylbutyl)piperazine-1-carboximidamide
CID 111168423
4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]-N'-methylpiperazine-1-carboximidamide
CID 111168515
4-(furan-2-carbonyl)-N'-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide
CID 111167439
4-(furan-2-carbonyl)-N'-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazine-1-carboximidamide
CID 111167133

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-carbonyl)-N'-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperazine-1-carboximidamide?
The IUPAC name of 4-(furan-2-carbonyl)-N'-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperazine-1-carboximidamide (CID 111168900) is 4-(furan-2-carbonyl)-N'-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperazine-1-carboximidamide.
What is the SMILES notation for 4-(furan-2-carbonyl)-N'-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperazine-1-carboximidamide?
The canonical SMILES for 4-(furan-2-carbonyl)-N'-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperazine-1-carboximidamide is C/N=C(\NCCCNc1ccc(C(F)(F)F)cn1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 4-(furan-2-carbonyl)-N'-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperazine-1-carboximidamide?
The InChIKey is ZVXBCJAAMOOIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N6O2/c1-24-19(29-11-9-28(10-12-29)18(30)16-4-2-13-31-16)26-8-3-7-25-17-6-5-15(14-27-17)20(21,22)23/h2,4-6,13-14H,3,7-12H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 4-(furan-2-carbonyl)-N'-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperazine-1-carboximidamide?
4-(furan-2-carbonyl)-N'-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperazine-1-carboximidamide has a molecular weight of 438.45 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-carbonyl)-N'-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperazine-1-carboximidamide is sourced from PubChem (CID 111168900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).