N-benzyl-6-ethoxypyridazine-3-carboxamide

C14H15N3O2 — CID 56764581

IUPACN-benzyl-6-ethoxypyridazine-3-carboxamide
SMILESCCOc1ccc(C(=O)NCc2ccccc2)nn1
InChIInChI=1S/C14H15N3O2/c1-2-19-13-9-8-12(16-17-13)14(18)15-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,15,18)
InChIKeyBUEBENWGSAWJIY-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.81
Rot. Bonds5

About N-benzyl-6-ethoxypyridazine-3-carboxamide

N-benzyl-6-ethoxypyridazine-3-carboxamide (PubChem CID 56764581) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-benzyl-6-ethoxypyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-ethoxypyridazine-3-carboxamide
PubChem CID56764581
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-benzyl-6-ethoxypyridazine-3-carboxamide
SMILESCCOc1ccc(C(=O)NCc2ccccc2)nn1
InChIInChI=1S/C14H15N3O2/c1-2-19-13-9-8-12(16-17-13)14(18)15-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,15,18)
InChIKeyBUEBENWGSAWJIY-UHFFFAOYSA-N
XLogP1.81
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-ethoxypyridazine-3-carboxamide?
The IUPAC name of N-benzyl-6-ethoxypyridazine-3-carboxamide (CID 56764581) is N-benzyl-6-ethoxypyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-ethoxypyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-6-ethoxypyridazine-3-carboxamide is CCOc1ccc(C(=O)NCc2ccccc2)nn1.
What is the InChIKey of N-benzyl-6-ethoxypyridazine-3-carboxamide?
The InChIKey is BUEBENWGSAWJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-2-19-13-9-8-12(16-17-13)14(18)15-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,15,18).
What are the key properties of N-benzyl-6-ethoxypyridazine-3-carboxamide?
N-benzyl-6-ethoxypyridazine-3-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-ethoxypyridazine-3-carboxamide is sourced from PubChem (CID 56764581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).