6-oxo-N-(3,4,5-trimethoxyphenyl)-1H-pyridazine-3-carboxamide

C14H15N3O5 — CID 2478295

IUPAC6-oxo-N-(3,4,5-trimethoxyphenyl)-1H-pyridazine-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(=O)[nH]n2)cc(OC)c1OC
InChIInChI=1S/C14H15N3O5/c1-20-10-6-8(7-11(21-2)13(10)22-3)15-14(19)9-4-5-12(18)17-16-9/h4-7H,1-3H3,(H,15,19)(H,17,18)
InChIKeyBUTQAZOUCLTBMK-UHFFFAOYSA-N
MW305.29 g/mol
LogP1.05
Rot. Bonds5

About 6-oxo-N-(3,4,5-trimethoxyphenyl)-1H-pyridazine-3-carboxamide

6-oxo-N-(3,4,5-trimethoxyphenyl)-1H-pyridazine-3-carboxamide (PubChem CID 2478295) has the molecular formula C14H15N3O5 and a molecular weight of 305.29 g/mol. Its IUPAC name is 6-oxo-N-(3,4,5-trimethoxyphenyl)-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(3,4,5-trimethoxyphenyl)-1H-pyridazine-3-carboxamide
PubChem CID2478295
Molecular FormulaC14H15N3O5
Molecular Weight305.29 g/mol
Exact Mass305.10
IUPAC Name6-oxo-N-(3,4,5-trimethoxyphenyl)-1H-pyridazine-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(=O)[nH]n2)cc(OC)c1OC
InChIInChI=1S/C14H15N3O5/c1-20-10-6-8(7-11(21-2)13(10)22-3)15-14(19)9-4-5-12(18)17-16-9/h4-7H,1-3H3,(H,15,19)(H,17,18)
InChIKeyBUTQAZOUCLTBMK-UHFFFAOYSA-N
XLogP1.05
TPSA102.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4,5-Trimethoxyphenyl)acetamide
CID 199504
(3E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(propanoylhydrazinylidene)butanamide
CID 9592023
1-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2,5-dione
CID 2731140
N-(1,3-benzodioxol-5-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 2380499
1-allyl-2-oxo-N-(3,4,5-trimethoxyphenyl)-1,2-dihydro-3-pyridinecarboxamide
CID 1483581
4(1H)-Pyridazinone, 3-methoxy-6-methyl-1-(3,4,5-trimethoxyphenyl)-
CID 3045255
(3E)-3-(2-acetylhydrazinylidene)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide
CID 9592022
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 1503617
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 2469529
2-(3,4,5-Trimethoxyphenyl)-1,2,4-triazine-3,5-dione
CID 12569278
6-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1H-pyridazine-3-carboxamide
CID 17400303
6-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1H-pyridazine-3-carboxamide
CID 29365197

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(3,4,5-trimethoxyphenyl)-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(3,4,5-trimethoxyphenyl)-1H-pyridazine-3-carboxamide (CID 2478295) is 6-oxo-N-(3,4,5-trimethoxyphenyl)-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(3,4,5-trimethoxyphenyl)-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(3,4,5-trimethoxyphenyl)-1H-pyridazine-3-carboxamide is COc1cc(NC(=O)c2ccc(=O)[nH]n2)cc(OC)c1OC.
What is the InChIKey of 6-oxo-N-(3,4,5-trimethoxyphenyl)-1H-pyridazine-3-carboxamide?
The InChIKey is BUTQAZOUCLTBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5/c1-20-10-6-8(7-11(21-2)13(10)22-3)15-14(19)9-4-5-12(18)17-16-9/h4-7H,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 6-oxo-N-(3,4,5-trimethoxyphenyl)-1H-pyridazine-3-carboxamide?
6-oxo-N-(3,4,5-trimethoxyphenyl)-1H-pyridazine-3-carboxamide has a molecular weight of 305.29 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(3,4,5-trimethoxyphenyl)-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 2478295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).