N-[3-hydroxy-4-[5-[2-hydroxy-4-(pyridine-2-carboximidoylamino)phenyl]furan-2-yl]phenyl]pyridine-2-carboximidamide

C28H22N6O3 — CID 135469632

IUPACN-[3-hydroxy-4-[5-[2-hydroxy-4-(pyridine-2-carboximidoylamino)phenyl]furan-2-yl]phenyl]pyridine-2-carboximidamide
SMILES[H]/N=C(/Nc1ccc(-c2ccc(-c3ccc(N/C(=N/[H])c4ccccn4)cc3O)o2)c(O)c1)c1ccccn1
InChIInChI=1S/C28H22N6O3/c29-27(21-5-1-3-13-31-21)33-17-7-9-19(23(35)15-17)25-11-12-26(37-25)20-10-8-18(16-24(20)36)34-28(30)22-6-2-4-14-32-22/h1-16,35-36H,(H2,29,33)(H2,30,34)
InChIKeyHYSUDGSWNRDYCV-UHFFFAOYSA-N
MW490.52 g/mol
LogP5.69
Rot. Bonds6

About N-[3-hydroxy-4-[5-[2-hydroxy-4-(pyridine-2-carboximidoylamino)phenyl]furan-2-yl]phenyl]pyridine-2-carboximidamide

N-[3-hydroxy-4-[5-[2-hydroxy-4-(pyridine-2-carboximidoylamino)phenyl]furan-2-yl]phenyl]pyridine-2-carboximidamide (PubChem CID 135469632) has the molecular formula C28H22N6O3 and a molecular weight of 490.52 g/mol. Its IUPAC name is N-[3-hydroxy-4-[5-[2-hydroxy-4-(pyridine-2-carboximidoylamino)phenyl]furan-2-yl]phenyl]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN-[3-hydroxy-4-[5-[2-hydroxy-4-(pyridine-2-carboximidoylamino)phenyl]furan-2-yl]phenyl]pyridine-2-carboximidamide
PubChem CID135469632
Molecular FormulaC28H22N6O3
Molecular Weight490.52 g/mol
Exact Mass490.18
IUPAC NameN-[3-hydroxy-4-[5-[2-hydroxy-4-(pyridine-2-carboximidoylamino)phenyl]furan-2-yl]phenyl]pyridine-2-carboximidamide
SMILES[H]/N=C(/Nc1ccc(-c2ccc(-c3ccc(N/C(=N/[H])c4ccccn4)cc3O)o2)c(O)c1)c1ccccn1
InChIInChI=1S/C28H22N6O3/c29-27(21-5-1-3-13-31-21)33-17-7-9-19(23(35)15-17)25-11-12-26(37-25)20-10-8-18(16-24(20)36)34-28(30)22-6-2-4-14-32-22/h1-16,35-36H,(H2,29,33)(H2,30,34)
InChIKeyHYSUDGSWNRDYCV-UHFFFAOYSA-N
XLogP5.69
TPSA151.14 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500490.52
LogP ≤ 55.69
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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

DB-766
CID 135530739
2,5-bis[4-(2-Pyridylimino)aminophenyl]furan
CID 474722
N-[3-methyl-4-[5-[2-methyl-4-(pyridine-2-carboximidoylamino)phenyl]-2-furyl]phenyl]pyridine-2-carboxamidine
CID 487978
5-methyl-N-[3-methyl-4-[5-[2-methyl-4-[(5-methylpyridine-2-carboximidoyl)amino]phenyl]-2-furyl]phenyl]pyridine-2-carboxamidine
CID 487980
N'-[4-[5-[4-[[amino(pyridin-2-yl)methylidene]amino]phenyl]-3,4-dimethylfuran-2-yl]phenyl]pyridine-2-carboximidamide
CID 56681933
N'-[4-[5-[4-[[amino(pyridin-2-yl)methylidene]amino]-2-propan-2-yloxyphenyl]furan-2-yl]phenyl]pyridine-2-carboximidamide;methanesulfonic acid
CID 71458666
N'-[4-[5-[4-[[amino(pyridin-2-yl)methylidene]amino]-2-propan-2-yloxyphenyl]furan-2-yl]-3-methylphenyl]pyridine-2-carboximidamide;methanesulfonic acid
CID 71462200
N'-[4-[5-[4-[[amino(pyridin-2-yl)methylidene]amino]-2-fluorophenyl]furan-2-yl]-3-propan-2-yloxyphenyl]pyridine-2-carboximidamide;methanesulfonic acid
CID 71462202
N-dibenzofuran-3-yl-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide
CID 127028963
N'-[4-[5-(4-methoxyphenyl)furan-2-yl]-3-propan-2-yloxyphenyl]pyridine-2-carboximidamide
CID 127029133
N'-[3-cyclopentyloxy-4-(5-phenylfuran-2-yl)phenyl]pyridine-2-carboximidamide;methanesulfonic acid
CID 127029136
N'-[3-ethoxy-4-(5-phenylfuran-2-yl)phenyl]pyridine-2-carboximidamide
CID 127029144

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-4-[5-[2-hydroxy-4-(pyridine-2-carboximidoylamino)phenyl]furan-2-yl]phenyl]pyridine-2-carboximidamide?
The IUPAC name of N-[3-hydroxy-4-[5-[2-hydroxy-4-(pyridine-2-carboximidoylamino)phenyl]furan-2-yl]phenyl]pyridine-2-carboximidamide (CID 135469632) is N-[3-hydroxy-4-[5-[2-hydroxy-4-(pyridine-2-carboximidoylamino)phenyl]furan-2-yl]phenyl]pyridine-2-carboximidamide.
What is the SMILES notation for N-[3-hydroxy-4-[5-[2-hydroxy-4-(pyridine-2-carboximidoylamino)phenyl]furan-2-yl]phenyl]pyridine-2-carboximidamide?
The canonical SMILES for N-[3-hydroxy-4-[5-[2-hydroxy-4-(pyridine-2-carboximidoylamino)phenyl]furan-2-yl]phenyl]pyridine-2-carboximidamide is [H]/N=C(/Nc1ccc(-c2ccc(-c3ccc(N/C(=N/[H])c4ccccn4)cc3O)o2)c(O)c1)c1ccccn1.
What is the InChIKey of N-[3-hydroxy-4-[5-[2-hydroxy-4-(pyridine-2-carboximidoylamino)phenyl]furan-2-yl]phenyl]pyridine-2-carboximidamide?
The InChIKey is HYSUDGSWNRDYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N6O3/c29-27(21-5-1-3-13-31-21)33-17-7-9-19(23(35)15-17)25-11-12-26(37-25)20-10-8-18(16-24(20)36)34-28(30)22-6-2-4-14-32-22/h1-16,35-36H,(H2,29,33)(H2,30,34).
What are the key properties of N-[3-hydroxy-4-[5-[2-hydroxy-4-(pyridine-2-carboximidoylamino)phenyl]furan-2-yl]phenyl]pyridine-2-carboximidamide?
N-[3-hydroxy-4-[5-[2-hydroxy-4-(pyridine-2-carboximidoylamino)phenyl]furan-2-yl]phenyl]pyridine-2-carboximidamide has a molecular weight of 490.52 g/mol, XLogP of 5.69, 6 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-4-[5-[2-hydroxy-4-(pyridine-2-carboximidoylamino)phenyl]furan-2-yl]phenyl]pyridine-2-carboximidamide is sourced from PubChem (CID 135469632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).