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

C14H19N3O2 — CID 52898970

IUPACN-cyclopropyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
SMILESO=C(Cn1nc2c(cc1=O)CCCCC2)NC1CC1
InChIInChI=1S/C14H19N3O2/c18-13(15-11-6-7-11)9-17-14(19)8-10-4-2-1-3-5-12(10)16-17/h8,11H,1-7,9H2,(H,15,18)
InChIKeyNPOZUPBQOSRCOJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.79
Rot. Bonds3

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

N-cyclopropyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide (PubChem CID 52898970) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-cyclopropyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
PubChem CID52898970
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-cyclopropyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
SMILESO=C(Cn1nc2c(cc1=O)CCCCC2)NC1CC1
InChIInChI=1S/C14H19N3O2/c18-13(15-11-6-7-11)9-17-14(19)8-10-4-2-1-3-5-12(10)16-17/h8,11H,1-7,9H2,(H,15,18)
InChIKeyNPOZUPBQOSRCOJ-UHFFFAOYSA-N
XLogP0.79
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide?
The IUPAC name of N-cyclopropyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide (CID 52898970) is N-cyclopropyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide is O=C(Cn1nc2c(cc1=O)CCCCC2)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide?
The InChIKey is NPOZUPBQOSRCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c18-13(15-11-6-7-11)9-17-14(19)8-10-4-2-1-3-5-12(10)16-17/h8,11H,1-7,9H2,(H,15,18).
What are the key properties of N-cyclopropyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide?
N-cyclopropyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide has a molecular weight of 261.32 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide is sourced from PubChem (CID 52898970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).