6-oxo-1-propyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pyridazine-3-carboxamide

C18H25N3O2 — CID 43063119

IUPAC6-oxo-1-propyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NC2CC3CC2C2CCCC32)ccc1=O
InChIInChI=1S/C18H25N3O2/c1-2-8-21-17(22)7-6-15(20-21)18(23)19-16-10-11-9-14(16)13-5-3-4-12(11)13/h6-7,11-14,16H,2-5,8-10H2,1H3,(H,19,23)
InChIKeyFRAHTQKPBCXPIF-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.21
Rot. Bonds4

About 6-oxo-1-propyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pyridazine-3-carboxamide

6-oxo-1-propyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pyridazine-3-carboxamide (PubChem CID 43063119) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 6-oxo-1-propyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-propyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pyridazine-3-carboxamide
PubChem CID43063119
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name6-oxo-1-propyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NC2CC3CC2C2CCCC32)ccc1=O
InChIInChI=1S/C18H25N3O2/c1-2-8-21-17(22)7-6-15(20-21)18(23)19-16-10-11-9-14(16)13-5-3-4-12(11)13/h6-7,11-14,16H,2-5,8-10H2,1H3,(H,19,23)
InChIKeyFRAHTQKPBCXPIF-UHFFFAOYSA-N
XLogP2.21
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-propyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-1-propyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pyridazine-3-carboxamide (CID 43063119) is 6-oxo-1-propyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-propyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-1-propyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pyridazine-3-carboxamide is CCCn1nc(C(=O)NC2CC3CC2C2CCCC32)ccc1=O.
What is the InChIKey of 6-oxo-1-propyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pyridazine-3-carboxamide?
The InChIKey is FRAHTQKPBCXPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-2-8-21-17(22)7-6-15(20-21)18(23)19-16-10-11-9-14(16)13-5-3-4-12(11)13/h6-7,11-14,16H,2-5,8-10H2,1H3,(H,19,23).
What are the key properties of 6-oxo-1-propyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pyridazine-3-carboxamide?
6-oxo-1-propyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pyridazine-3-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-propyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pyridazine-3-carboxamide is sourced from PubChem (CID 43063119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).