N-butan-2-yl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide

C15H23N3O2 — CID 75465714

IUPACN-butan-2-yl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
SMILESCCC(C)NC(=O)Cn1nc2c(cc1=O)CCCCC2
InChIInChI=1S/C15H23N3O2/c1-3-11(2)16-14(19)10-18-15(20)9-12-7-5-4-6-8-13(12)17-18/h9,11H,3-8,10H2,1-2H3,(H,16,19)
InChIKeySJIQCRJDROKJJZ-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.43
Rot. Bonds4

About N-butan-2-yl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide

N-butan-2-yl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide (PubChem CID 75465714) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-butan-2-yl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
PubChem CID75465714
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-butan-2-yl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
SMILESCCC(C)NC(=O)Cn1nc2c(cc1=O)CCCCC2
InChIInChI=1S/C15H23N3O2/c1-3-11(2)16-14(19)10-18-15(20)9-12-7-5-4-6-8-13(12)17-18/h9,11H,3-8,10H2,1-2H3,(H,16,19)
InChIKeySJIQCRJDROKJJZ-UHFFFAOYSA-N
XLogP1.43
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide (CID 75465714) is N-butan-2-yl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide is CCC(C)NC(=O)Cn1nc2c(cc1=O)CCCCC2.
What is the InChIKey of N-butan-2-yl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide?
The InChIKey is SJIQCRJDROKJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-11(2)16-14(19)10-18-15(20)9-12-7-5-4-6-8-13(12)17-18/h9,11H,3-8,10H2,1-2H3,(H,16,19).
What are the key properties of N-butan-2-yl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide?
N-butan-2-yl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide has a molecular weight of 277.37 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide is sourced from PubChem (CID 75465714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).