N-[(2,4-dihydroxyphenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide

C18H15N5O2 — CID 3102285

IUPACN-[(2,4-dihydroxyphenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide
SMILESOc1ccc(C=NNC(=Nc2ccccn2)c2ccccn2)c(O)c1
InChIInChI=1S/C18H15N5O2/c24-14-8-7-13(16(25)11-14)12-21-23-18(15-5-1-3-9-19-15)22-17-6-2-4-10-20-17/h1-12,24-25H,(H,20,22,23)
InChIKeyYRXFIJVTJBYLBP-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.59
Rot. Bonds4

About N-[(2,4-dihydroxyphenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide

N-[(2,4-dihydroxyphenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide (PubChem CID 3102285) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-[(2,4-dihydroxyphenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide.

Molecular Properties

Compound NameN-[(2,4-dihydroxyphenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide
PubChem CID3102285
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC NameN-[(2,4-dihydroxyphenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide
SMILESOc1ccc(C=NNC(=Nc2ccccn2)c2ccccn2)c(O)c1
InChIInChI=1S/C18H15N5O2/c24-14-8-7-13(16(25)11-14)12-21-23-18(15-5-1-3-9-19-15)22-17-6-2-4-10-20-17/h1-12,24-25H,(H,20,22,23)
InChIKeyYRXFIJVTJBYLBP-UHFFFAOYSA-N
XLogP2.59
TPSA102.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dihydroxyphenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide?
The IUPAC name of N-[(2,4-dihydroxyphenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide (CID 3102285) is N-[(2,4-dihydroxyphenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide.
What is the SMILES notation for N-[(2,4-dihydroxyphenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide?
The canonical SMILES for N-[(2,4-dihydroxyphenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide is Oc1ccc(C=NNC(=Nc2ccccn2)c2ccccn2)c(O)c1.
What is the InChIKey of N-[(2,4-dihydroxyphenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide?
The InChIKey is YRXFIJVTJBYLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c24-14-8-7-13(16(25)11-14)12-21-23-18(15-5-1-3-9-19-15)22-17-6-2-4-10-20-17/h1-12,24-25H,(H,20,22,23).
What are the key properties of N-[(2,4-dihydroxyphenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide?
N-[(2,4-dihydroxyphenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide has a molecular weight of 333.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dihydroxyphenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide is sourced from PubChem (CID 3102285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).