N-(3-methoxyphenyl)pyridazine-3-carboxamide

C12H11N3O2 — CID 5297391

IUPACN-(3-methoxyphenyl)pyridazine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cccnn2)c1
InChIInChI=1S/C12H11N3O2/c1-17-10-5-2-4-9(8-10)14-12(16)11-6-3-7-13-15-11/h2-8H,1H3,(H,14,16)
InChIKeyMCKUIRNAGZEMMF-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.74
Rot. Bonds3

About N-(3-methoxyphenyl)pyridazine-3-carboxamide

N-(3-methoxyphenyl)pyridazine-3-carboxamide (PubChem CID 5297391) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is N-(3-methoxyphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)pyridazine-3-carboxamide
PubChem CID5297391
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC NameN-(3-methoxyphenyl)pyridazine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cccnn2)c1
InChIInChI=1S/C12H11N3O2/c1-17-10-5-2-4-9(8-10)14-12(16)11-6-3-7-13-15-11/h2-8H,1H3,(H,14,16)
InChIKeyMCKUIRNAGZEMMF-UHFFFAOYSA-N
XLogP1.74
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)pyridazine-3-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)pyridazine-3-carboxamide (CID 5297391) is N-(3-methoxyphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)pyridazine-3-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)pyridazine-3-carboxamide is COc1cccc(NC(=O)c2cccnn2)c1.
What is the InChIKey of N-(3-methoxyphenyl)pyridazine-3-carboxamide?
The InChIKey is MCKUIRNAGZEMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-17-10-5-2-4-9(8-10)14-12(16)11-6-3-7-13-15-11/h2-8H,1H3,(H,14,16).
What are the key properties of N-(3-methoxyphenyl)pyridazine-3-carboxamide?
N-(3-methoxyphenyl)pyridazine-3-carboxamide has a molecular weight of 229.24 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 5297391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).