1-butyl-N-[2-(cyclohexen-1-yl)ethyl]-6-oxopyridazine-3-carboxamide

C17H25N3O2 — CID 29261545

IUPAC1-butyl-N-[2-(cyclohexen-1-yl)ethyl]-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCCC2=CCCCC2)ccc1=O
InChIInChI=1S/C17H25N3O2/c1-2-3-13-20-16(21)10-9-15(19-20)17(22)18-12-11-14-7-5-4-6-8-14/h7,9-10H,2-6,8,11-13H2,1H3,(H,18,22)
InChIKeySVVZXWCZELCLFD-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.66
Rot. Bonds7

About 1-butyl-N-[2-(cyclohexen-1-yl)ethyl]-6-oxopyridazine-3-carboxamide

1-butyl-N-[2-(cyclohexen-1-yl)ethyl]-6-oxopyridazine-3-carboxamide (PubChem CID 29261545) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-butyl-N-[2-(cyclohexen-1-yl)ethyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-[2-(cyclohexen-1-yl)ethyl]-6-oxopyridazine-3-carboxamide
PubChem CID29261545
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-butyl-N-[2-(cyclohexen-1-yl)ethyl]-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCCC2=CCCCC2)ccc1=O
InChIInChI=1S/C17H25N3O2/c1-2-3-13-20-16(21)10-9-15(19-20)17(22)18-12-11-14-7-5-4-6-8-14/h7,9-10H,2-6,8,11-13H2,1H3,(H,18,22)
InChIKeySVVZXWCZELCLFD-UHFFFAOYSA-N
XLogP2.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[2-(cyclohexen-1-yl)ethyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-[2-(cyclohexen-1-yl)ethyl]-6-oxopyridazine-3-carboxamide (CID 29261545) is 1-butyl-N-[2-(cyclohexen-1-yl)ethyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-[2-(cyclohexen-1-yl)ethyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-[2-(cyclohexen-1-yl)ethyl]-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)NCCC2=CCCCC2)ccc1=O.
What is the InChIKey of 1-butyl-N-[2-(cyclohexen-1-yl)ethyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is SVVZXWCZELCLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-2-3-13-20-16(21)10-9-15(19-20)17(22)18-12-11-14-7-5-4-6-8-14/h7,9-10H,2-6,8,11-13H2,1H3,(H,18,22).
What are the key properties of 1-butyl-N-[2-(cyclohexen-1-yl)ethyl]-6-oxopyridazine-3-carboxamide?
1-butyl-N-[2-(cyclohexen-1-yl)ethyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[2-(cyclohexen-1-yl)ethyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 29261545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).