1-methyl-6-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide

C16H19N3O5 — CID 31791793

IUPAC1-methyl-6-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide
SMILESCOc1cc(CNC(=O)c2ccc(=O)n(C)n2)cc(OC)c1OC
InChIInChI=1S/C16H19N3O5/c1-19-14(20)6-5-11(18-19)16(21)17-9-10-7-12(22-2)15(24-4)13(8-10)23-3/h5-8H,9H2,1-4H3,(H,17,21)
InChIKeyBHXVHDFQIMCSBD-UHFFFAOYSA-N
MW333.34 g/mol
LogP0.74
Rot. Bonds6

About 1-methyl-6-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide

1-methyl-6-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide (PubChem CID 31791793) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide
PubChem CID31791793
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name1-methyl-6-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide
SMILESCOc1cc(CNC(=O)c2ccc(=O)n(C)n2)cc(OC)c1OC
InChIInChI=1S/C16H19N3O5/c1-19-14(20)6-5-11(18-19)16(21)17-9-10-7-12(22-2)15(24-4)13(8-10)23-3/h5-8H,9H2,1-4H3,(H,17,21)
InChIKeyBHXVHDFQIMCSBD-UHFFFAOYSA-N
XLogP0.74
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 51143128
2,3,4-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 9483233
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 46440883
2-(3,4-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483239
3-benzyl-4-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]phthalazine-1-carboxamide
CID 41261547
1-methyl-6-oxo-N-[(3-pyridin-2-yloxyphenyl)methyl]pyridazine-3-carboxamide
CID 90596207
1-methyl-6-oxo-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pyridazine-3-carboxamide
CID 56875329
1-[(4-chlorophenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide
CID 25458811
1-methyl-6-oxo-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridazine-3-carboxamide
CID 55722187
1-methyl-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 42161813
(6S)-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-[(3,4,5-trimethoxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92906062
3-(3,4-dimethoxyphenyl)-3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoic acid
CID 45432925

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide (CID 31791793) is 1-methyl-6-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide is COc1cc(CNC(=O)c2ccc(=O)n(C)n2)cc(OC)c1OC.
What is the InChIKey of 1-methyl-6-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide?
The InChIKey is BHXVHDFQIMCSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-19-14(20)6-5-11(18-19)16(21)17-9-10-7-12(22-2)15(24-4)13(8-10)23-3/h5-8H,9H2,1-4H3,(H,17,21).
What are the key properties of 1-methyl-6-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide?
1-methyl-6-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide has a molecular weight of 333.34 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 31791793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).