4-[(6E)-nona-4,6-dien-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C14H21N3O2 — CID 173331161

IUPAC4-[(6E)-nona-4,6-dien-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC/C=C/C=CC(CC)C1CC(=O)NN=C1C(N)=O
InChIInChI=1S/C14H21N3O2/c1-3-5-6-7-8-10(4-2)11-9-12(18)16-17-13(11)14(15)19/h5-8,10-11H,3-4,9H2,1-2H3,(H2,15,19)(H,16,18)/b6-5+,8-7?
InChIKeyCFBSJQDDSWTYDU-AWJVIBGDSA-N
MW263.34 g/mol
LogP1.51
Rot. Bonds6

About 4-[(6E)-nona-4,6-dien-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

4-[(6E)-nona-4,6-dien-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 173331161) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[(6E)-nona-4,6-dien-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[(6E)-nona-4,6-dien-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID173331161
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-[(6E)-nona-4,6-dien-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC/C=C/C=CC(CC)C1CC(=O)NN=C1C(N)=O
InChIInChI=1S/C14H21N3O2/c1-3-5-6-7-8-10(4-2)11-9-12(18)16-17-13(11)14(15)19/h5-8,10-11H,3-4,9H2,1-2H3,(H2,15,19)(H,16,18)/b6-5+,8-7?
InChIKeyCFBSJQDDSWTYDU-AWJVIBGDSA-N
XLogP1.51
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(6E)-nona-4,6-dien-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of 4-[(6E)-nona-4,6-dien-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 173331161) is 4-[(6E)-nona-4,6-dien-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 4-[(6E)-nona-4,6-dien-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for 4-[(6E)-nona-4,6-dien-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is CC/C=C/C=CC(CC)C1CC(=O)NN=C1C(N)=O.
What is the InChIKey of 4-[(6E)-nona-4,6-dien-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is CFBSJQDDSWTYDU-AWJVIBGDSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-5-6-7-8-10(4-2)11-9-12(18)16-17-13(11)14(15)19/h5-8,10-11H,3-4,9H2,1-2H3,(H2,15,19)(H,16,18)/b6-5+,8-7?.
What are the key properties of 4-[(6E)-nona-4,6-dien-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
4-[(6E)-nona-4,6-dien-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6E)-nona-4,6-dien-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 173331161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).