4-methoxy-1-(4-methylphenyl)-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide

C17H21N3O3 — CID 8555454

IUPAC4-methoxy-1-(4-methylphenyl)-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide
SMILESCOc1cc(=O)n(-c2ccc(C)cc2)nc1C(=O)NCC(C)C
InChIInChI=1S/C17H21N3O3/c1-11(2)10-18-17(22)16-14(23-4)9-15(21)20(19-16)13-7-5-12(3)6-8-13/h5-9,11H,10H2,1-4H3,(H,18,22)
InChIKeyJUIUXITUMJPCPF-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.94
Rot. Bonds5

About 4-methoxy-1-(4-methylphenyl)-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide

4-methoxy-1-(4-methylphenyl)-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide (PubChem CID 8555454) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 4-methoxy-1-(4-methylphenyl)-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name4-methoxy-1-(4-methylphenyl)-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide
PubChem CID8555454
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name4-methoxy-1-(4-methylphenyl)-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide
SMILESCOc1cc(=O)n(-c2ccc(C)cc2)nc1C(=O)NCC(C)C
InChIInChI=1S/C17H21N3O3/c1-11(2)10-18-17(22)16-14(23-4)9-15(21)20(19-16)13-7-5-12(3)6-8-13/h5-9,11H,10H2,1-4H3,(H,18,22)
InChIKeyJUIUXITUMJPCPF-UHFFFAOYSA-N
XLogP1.94
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(4-methylphenyl)-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 4-methoxy-1-(4-methylphenyl)-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide (CID 8555454) is 4-methoxy-1-(4-methylphenyl)-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 4-methoxy-1-(4-methylphenyl)-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 4-methoxy-1-(4-methylphenyl)-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide is COc1cc(=O)n(-c2ccc(C)cc2)nc1C(=O)NCC(C)C.
What is the InChIKey of 4-methoxy-1-(4-methylphenyl)-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is JUIUXITUMJPCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11(2)10-18-17(22)16-14(23-4)9-15(21)20(19-16)13-7-5-12(3)6-8-13/h5-9,11H,10H2,1-4H3,(H,18,22).
What are the key properties of 4-methoxy-1-(4-methylphenyl)-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide?
4-methoxy-1-(4-methylphenyl)-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(4-methylphenyl)-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 8555454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).