1-benzyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide

C19H23N3O2 — CID 2579680

IUPAC1-benzyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C19H23N3O2/c23-18-13-12-17(19(24)20-16-10-6-1-2-7-11-16)21-22(18)14-15-8-4-3-5-9-15/h3-5,8-9,12-13,16H,1-2,6-7,10-11,14H2,(H,20,24)
InChIKeyQXCBZAWWJBIJPM-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.74
Rot. Bonds4

About 1-benzyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide

1-benzyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide (PubChem CID 2579680) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-benzyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide
PubChem CID2579680
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-benzyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C19H23N3O2/c23-18-13-12-17(19(24)20-16-10-6-1-2-7-11-16)21-22(18)14-15-8-4-3-5-9-15/h3-5,8-9,12-13,16H,1-2,6-7,10-11,14H2,(H,20,24)
InChIKeyQXCBZAWWJBIJPM-UHFFFAOYSA-N
XLogP2.74
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide (CID 2579680) is 1-benzyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide is O=C(NC1CCCCCC1)c1ccc(=O)n(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide?
The InChIKey is QXCBZAWWJBIJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-18-13-12-17(19(24)20-16-10-6-1-2-7-11-16)21-22(18)14-15-8-4-3-5-9-15/h3-5,8-9,12-13,16H,1-2,6-7,10-11,14H2,(H,20,24).
What are the key properties of 1-benzyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide?
1-benzyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 2579680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).