1-N'-[2-hydroxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-2-N'-[(1R)-1-(4-methylfuran-2-yl)propyl]ethanediimidamide

C26H31N7O3 — CID 143077108

IUPAC1-N'-[2-hydroxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-2-N'-[(1R)-1-(4-methylfuran-2-yl)propyl]ethanediimidamide
SMILESCC[C@@H](/N=C(N)/C(N)=N/c1cccc(C(=O)N2CCN(c3ccccn3)CC2)c1O)c1cc(C)co1
InChIInChI=1S/C26H31N7O3/c1-3-19(21-15-17(2)16-36-21)30-24(27)25(28)31-20-8-6-7-18(23(20)34)26(35)33-13-11-32(12-14-33)22-9-4-5-10-29-22/h4-10,15-16,19,34H,3,11-14H2,1-2H3,(H2,27,30)(H2,28,31)/t19-/m1/s1
InChIKeyRJVMCTKHHJHMMD-LJQANCHMSA-N
MW489.58 g/mol
LogP3.15
Rot. Bonds6

About 1-N'-[2-hydroxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-2-N'-[(1R)-1-(4-methylfuran-2-yl)propyl]ethanediimidamide

1-N'-[2-hydroxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-2-N'-[(1R)-1-(4-methylfuran-2-yl)propyl]ethanediimidamide (PubChem CID 143077108) has the molecular formula C26H31N7O3 and a molecular weight of 489.58 g/mol. Its IUPAC name is 1-N'-[2-hydroxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-2-N'-[(1R)-1-(4-methylfuran-2-yl)propyl]ethanediimidamide.

Molecular Properties

Compound Name1-N'-[2-hydroxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-2-N'-[(1R)-1-(4-methylfuran-2-yl)propyl]ethanediimidamide
PubChem CID143077108
Molecular FormulaC26H31N7O3
Molecular Weight489.58 g/mol
Exact Mass489.25
IUPAC Name1-N'-[2-hydroxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-2-N'-[(1R)-1-(4-methylfuran-2-yl)propyl]ethanediimidamide
SMILESCC[C@@H](/N=C(N)/C(N)=N/c1cccc(C(=O)N2CCN(c3ccccn3)CC2)c1O)c1cc(C)co1
InChIInChI=1S/C26H31N7O3/c1-3-19(21-15-17(2)16-36-21)30-24(27)25(28)31-20-8-6-7-18(23(20)34)26(35)33-13-11-32(12-14-33)22-9-4-5-10-29-22/h4-10,15-16,19,34H,3,11-14H2,1-2H3,(H2,27,30)(H2,28,31)/t19-/m1/s1
InChIKeyRJVMCTKHHJHMMD-LJQANCHMSA-N
XLogP3.15
TPSA146.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-N'-[2-hydroxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-2-N'-[(1R)-1-(4-methylfuran-2-yl)propyl]ethanediimidamide 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

[1,2-diamino-2-(2,3-dimethylphenyl)azaniumylideneethylidene]-[2-hydroxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]azanium
CID 143076958
(2,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 925511
(2-methylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 801097
1-N'-[2-hydroxy-3-[1-(4-pyrimidin-2-ylpiperazin-1-yl)ethenyl]phenyl]-2-N'-[(1R)-1-(5-methylfuran-2-yl)propyl]-2-N-sulfanylethanediimidamide
CID 143077161
(2-chloro-4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 885844
[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 97337826
(2-butan-2-yloxy-4-pyridinyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 75472306
furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
(2-methyl-3,5-dinitrophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 78768583
(2-nitrophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 16546256
[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 69039345
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915

Frequently Asked Questions

What is the IUPAC name of 1-N'-[2-hydroxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-2-N'-[(1R)-1-(4-methylfuran-2-yl)propyl]ethanediimidamide?
The IUPAC name of 1-N'-[2-hydroxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-2-N'-[(1R)-1-(4-methylfuran-2-yl)propyl]ethanediimidamide (CID 143077108) is 1-N'-[2-hydroxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-2-N'-[(1R)-1-(4-methylfuran-2-yl)propyl]ethanediimidamide.
What is the SMILES notation for 1-N'-[2-hydroxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-2-N'-[(1R)-1-(4-methylfuran-2-yl)propyl]ethanediimidamide?
The canonical SMILES for 1-N'-[2-hydroxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-2-N'-[(1R)-1-(4-methylfuran-2-yl)propyl]ethanediimidamide is CC[C@@H](/N=C(N)/C(N)=N/c1cccc(C(=O)N2CCN(c3ccccn3)CC2)c1O)c1cc(C)co1.
What is the InChIKey of 1-N'-[2-hydroxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-2-N'-[(1R)-1-(4-methylfuran-2-yl)propyl]ethanediimidamide?
The InChIKey is RJVMCTKHHJHMMD-LJQANCHMSA-N. The full InChI is InChI=1S/C26H31N7O3/c1-3-19(21-15-17(2)16-36-21)30-24(27)25(28)31-20-8-6-7-18(23(20)34)26(35)33-13-11-32(12-14-33)22-9-4-5-10-29-22/h4-10,15-16,19,34H,3,11-14H2,1-2H3,(H2,27,30)(H2,28,31)/t19-/m1/s1.
What are the key properties of 1-N'-[2-hydroxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-2-N'-[(1R)-1-(4-methylfuran-2-yl)propyl]ethanediimidamide?
1-N'-[2-hydroxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-2-N'-[(1R)-1-(4-methylfuran-2-yl)propyl]ethanediimidamide has a molecular weight of 489.58 g/mol, XLogP of 3.15, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[2-hydroxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-2-N'-[(1R)-1-(4-methylfuran-2-yl)propyl]ethanediimidamide is sourced from PubChem (CID 143077108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).