2-methoxy-N-(1-pyridazin-3-ylpiperidin-3-yl)benzamide

C17H20N4O2 — CID 71875372

IUPAC2-methoxy-N-(1-pyridazin-3-ylpiperidin-3-yl)benzamide
SMILESCOc1ccccc1C(=O)NC1CCCN(c2cccnn2)C1
InChIInChI=1S/C17H20N4O2/c1-23-15-8-3-2-7-14(15)17(22)19-13-6-5-11-21(12-13)16-9-4-10-18-20-16/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,19,22)
InChIKeyVZVCRMQYPNSMHO-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.88
Rot. Bonds4

About 2-methoxy-N-(1-pyridazin-3-ylpiperidin-3-yl)benzamide

2-methoxy-N-(1-pyridazin-3-ylpiperidin-3-yl)benzamide (PubChem CID 71875372) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-methoxy-N-(1-pyridazin-3-ylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(1-pyridazin-3-ylpiperidin-3-yl)benzamide
PubChem CID71875372
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-methoxy-N-(1-pyridazin-3-ylpiperidin-3-yl)benzamide
SMILESCOc1ccccc1C(=O)NC1CCCN(c2cccnn2)C1
InChIInChI=1S/C17H20N4O2/c1-23-15-8-3-2-7-14(15)17(22)19-13-6-5-11-21(12-13)16-9-4-10-18-20-16/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,19,22)
InChIKeyVZVCRMQYPNSMHO-UHFFFAOYSA-N
XLogP1.88
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(1-pyridazin-3-ylpiperidin-3-yl)benzamide?
The IUPAC name of 2-methoxy-N-(1-pyridazin-3-ylpiperidin-3-yl)benzamide (CID 71875372) is 2-methoxy-N-(1-pyridazin-3-ylpiperidin-3-yl)benzamide.
What is the SMILES notation for 2-methoxy-N-(1-pyridazin-3-ylpiperidin-3-yl)benzamide?
The canonical SMILES for 2-methoxy-N-(1-pyridazin-3-ylpiperidin-3-yl)benzamide is COc1ccccc1C(=O)NC1CCCN(c2cccnn2)C1.
What is the InChIKey of 2-methoxy-N-(1-pyridazin-3-ylpiperidin-3-yl)benzamide?
The InChIKey is VZVCRMQYPNSMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-23-15-8-3-2-7-14(15)17(22)19-13-6-5-11-21(12-13)16-9-4-10-18-20-16/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,19,22).
What are the key properties of 2-methoxy-N-(1-pyridazin-3-ylpiperidin-3-yl)benzamide?
2-methoxy-N-(1-pyridazin-3-ylpiperidin-3-yl)benzamide has a molecular weight of 312.37 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(1-pyridazin-3-ylpiperidin-3-yl)benzamide is sourced from PubChem (CID 71875372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).