6-morpholin-4-yl-N-(2-phenylethyl)pyridazine-3-carboxamide

C17H20N4O2 — CID 109114472

IUPAC6-morpholin-4-yl-N-(2-phenylethyl)pyridazine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(N2CCOCC2)nn1
InChIInChI=1S/C17H20N4O2/c22-17(18-9-8-14-4-2-1-3-5-14)15-6-7-16(20-19-15)21-10-12-23-13-11-21/h1-7H,8-13H2,(H,18,22)
InChIKeyNHRHUCDZEQDEII-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.29
Rot. Bonds5

About 6-morpholin-4-yl-N-(2-phenylethyl)pyridazine-3-carboxamide

6-morpholin-4-yl-N-(2-phenylethyl)pyridazine-3-carboxamide (PubChem CID 109114472) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 6-morpholin-4-yl-N-(2-phenylethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-morpholin-4-yl-N-(2-phenylethyl)pyridazine-3-carboxamide
PubChem CID109114472
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name6-morpholin-4-yl-N-(2-phenylethyl)pyridazine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(N2CCOCC2)nn1
InChIInChI=1S/C17H20N4O2/c22-17(18-9-8-14-4-2-1-3-5-14)15-6-7-16(20-19-15)21-10-12-23-13-11-21/h1-7H,8-13H2,(H,18,22)
InChIKeyNHRHUCDZEQDEII-UHFFFAOYSA-N
XLogP1.29
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-N-(2-phenylethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-morpholin-4-yl-N-(2-phenylethyl)pyridazine-3-carboxamide (CID 109114472) is 6-morpholin-4-yl-N-(2-phenylethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-morpholin-4-yl-N-(2-phenylethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-morpholin-4-yl-N-(2-phenylethyl)pyridazine-3-carboxamide is O=C(NCCc1ccccc1)c1ccc(N2CCOCC2)nn1.
What is the InChIKey of 6-morpholin-4-yl-N-(2-phenylethyl)pyridazine-3-carboxamide?
The InChIKey is NHRHUCDZEQDEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-17(18-9-8-14-4-2-1-3-5-14)15-6-7-16(20-19-15)21-10-12-23-13-11-21/h1-7H,8-13H2,(H,18,22).
What are the key properties of 6-morpholin-4-yl-N-(2-phenylethyl)pyridazine-3-carboxamide?
6-morpholin-4-yl-N-(2-phenylethyl)pyridazine-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-N-(2-phenylethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109114472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).