N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide

C15H17N3O4 — CID 51143128

IUPACN-[(3,4-dimethoxyphenyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(=O)n(C)n2)cc1OC
InChIInChI=1S/C15H17N3O4/c1-18-14(19)7-5-11(17-18)15(20)16-9-10-4-6-12(21-2)13(8-10)22-3/h4-8H,9H2,1-3H3,(H,16,20)
InChIKeyBPLYBAMBZKBBDR-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.73
Rot. Bonds5

About N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 51143128) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID51143128
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(=O)n(C)n2)cc1OC
InChIInChI=1S/C15H17N3O4/c1-18-14(19)7-5-11(17-18)15(20)16-9-10-4-6-12(21-2)13(8-10)22-3/h4-8H,9H2,1-3H3,(H,16,20)
InChIKeyBPLYBAMBZKBBDR-UHFFFAOYSA-N
XLogP0.73
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-6-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide
CID 31791793
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 46440883
N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999279
N-[(3,4-dimethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 51305032
N-[(3,4-dimethoxyphenyl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111768
N-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide
CID 110762676
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 18080743
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 62234893
6-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109123466
N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide
CID 110372802
N-[(3,4-dimethoxyphenyl)methyl]-5-phenylpyridine-2-carboxamide
CID 110683588
N-[(3,4-dimethoxyphenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261874

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 51143128) is N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide is COc1ccc(CNC(=O)c2ccc(=O)n(C)n2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is BPLYBAMBZKBBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-18-14(19)7-5-11(17-18)15(20)16-9-10-4-6-12(21-2)13(8-10)22-3/h4-8H,9H2,1-3H3,(H,16,20).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 303.32 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 51143128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).