N-(4-amino-3-benzyl-2-hydroxyphenyl)pyridazine-4-carboxamide

C18H16N4O2 — CID 140854722

IUPACN-(4-amino-3-benzyl-2-hydroxyphenyl)pyridazine-4-carboxamide
SMILESNc1ccc(NC(=O)c2ccnnc2)c(O)c1Cc1ccccc1
InChIInChI=1S/C18H16N4O2/c19-15-6-7-16(22-18(24)13-8-9-20-21-11-13)17(23)14(15)10-12-4-2-1-3-5-12/h1-9,11,23H,10,19H2,(H,22,24)
InChIKeyYXRYOMFYSFYCOZ-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.61
Rot. Bonds4

About N-(4-amino-3-benzyl-2-hydroxyphenyl)pyridazine-4-carboxamide

N-(4-amino-3-benzyl-2-hydroxyphenyl)pyridazine-4-carboxamide (PubChem CID 140854722) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-(4-amino-3-benzyl-2-hydroxyphenyl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3-benzyl-2-hydroxyphenyl)pyridazine-4-carboxamide
PubChem CID140854722
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC NameN-(4-amino-3-benzyl-2-hydroxyphenyl)pyridazine-4-carboxamide
SMILESNc1ccc(NC(=O)c2ccnnc2)c(O)c1Cc1ccccc1
InChIInChI=1S/C18H16N4O2/c19-15-6-7-16(22-18(24)13-8-9-20-21-11-13)17(23)14(15)10-12-4-2-1-3-5-12/h1-9,11,23H,10,19H2,(H,22,24)
InChIKeyYXRYOMFYSFYCOZ-UHFFFAOYSA-N
XLogP2.61
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(4-tert-butyl-2-hydroxyphenyl)pyridazine-4-carboxamide
CID 136540655
N-(3-hydroxy-2-methylphenyl)pyridazine-4-carboxamide
CID 104670815
N-(3-hydroxy-4-methylphenyl)pyridazine-4-carboxamide
CID 113341719
N-(3-hydroxyphenyl)pyridazine-4-carboxamide
CID 115777355
N-(2-hydroxy-4-nitrophenyl)pyridazine-4-carboxamide
CID 136793408

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-benzyl-2-hydroxyphenyl)pyridazine-4-carboxamide?
The IUPAC name of N-(4-amino-3-benzyl-2-hydroxyphenyl)pyridazine-4-carboxamide (CID 140854722) is N-(4-amino-3-benzyl-2-hydroxyphenyl)pyridazine-4-carboxamide.
What is the SMILES notation for N-(4-amino-3-benzyl-2-hydroxyphenyl)pyridazine-4-carboxamide?
The canonical SMILES for N-(4-amino-3-benzyl-2-hydroxyphenyl)pyridazine-4-carboxamide is Nc1ccc(NC(=O)c2ccnnc2)c(O)c1Cc1ccccc1.
What is the InChIKey of N-(4-amino-3-benzyl-2-hydroxyphenyl)pyridazine-4-carboxamide?
The InChIKey is YXRYOMFYSFYCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c19-15-6-7-16(22-18(24)13-8-9-20-21-11-13)17(23)14(15)10-12-4-2-1-3-5-12/h1-9,11,23H,10,19H2,(H,22,24).
What are the key properties of N-(4-amino-3-benzyl-2-hydroxyphenyl)pyridazine-4-carboxamide?
N-(4-amino-3-benzyl-2-hydroxyphenyl)pyridazine-4-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-benzyl-2-hydroxyphenyl)pyridazine-4-carboxamide is sourced from PubChem (CID 140854722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).