6-methoxy-N-(1-phenylethyl)pyridazine-3-carboxamide

C14H15N3O2 — CID 52992915

IUPAC6-methoxy-N-(1-phenylethyl)pyridazine-3-carboxamide
SMILESCOc1ccc(C(=O)NC(C)c2ccccc2)nn1
InChIInChI=1S/C14H15N3O2/c1-10(11-6-4-3-5-7-11)15-14(18)12-8-9-13(19-2)17-16-12/h3-10H,1-2H3,(H,15,18)
InChIKeyBQCUGWVPHLEJMG-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.98
Rot. Bonds4

About 6-methoxy-N-(1-phenylethyl)pyridazine-3-carboxamide

6-methoxy-N-(1-phenylethyl)pyridazine-3-carboxamide (PubChem CID 52992915) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 6-methoxy-N-(1-phenylethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-(1-phenylethyl)pyridazine-3-carboxamide
PubChem CID52992915
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name6-methoxy-N-(1-phenylethyl)pyridazine-3-carboxamide
SMILESCOc1ccc(C(=O)NC(C)c2ccccc2)nn1
InChIInChI=1S/C14H15N3O2/c1-10(11-6-4-3-5-7-11)15-14(18)12-8-9-13(19-2)17-16-12/h3-10H,1-2H3,(H,15,18)
InChIKeyBQCUGWVPHLEJMG-UHFFFAOYSA-N
XLogP1.98
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(1-phenylethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-methoxy-N-(1-phenylethyl)pyridazine-3-carboxamide (CID 52992915) is 6-methoxy-N-(1-phenylethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-(1-phenylethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-methoxy-N-(1-phenylethyl)pyridazine-3-carboxamide is COc1ccc(C(=O)NC(C)c2ccccc2)nn1.
What is the InChIKey of 6-methoxy-N-(1-phenylethyl)pyridazine-3-carboxamide?
The InChIKey is BQCUGWVPHLEJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10(11-6-4-3-5-7-11)15-14(18)12-8-9-13(19-2)17-16-12/h3-10H,1-2H3,(H,15,18).
What are the key properties of 6-methoxy-N-(1-phenylethyl)pyridazine-3-carboxamide?
6-methoxy-N-(1-phenylethyl)pyridazine-3-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(1-phenylethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 52992915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).