N,4-dimethoxy-N,1-dimethyl-6-oxopyridazine-3-carboxamide

C9H13N3O4 — CID 58072435

IUPACN,4-dimethoxy-N,1-dimethyl-6-oxopyridazine-3-carboxamide
SMILESCOc1cc(=O)n(C)nc1C(=O)N(C)OC
InChIInChI=1S/C9H13N3O4/c1-11-7(13)5-6(15-3)8(10-11)9(14)12(2)16-4/h5H,1-4H3
InChIKeyXZHJXZWTLSGLKA-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.58
Rot. Bonds3

About N,4-dimethoxy-N,1-dimethyl-6-oxopyridazine-3-carboxamide

N,4-dimethoxy-N,1-dimethyl-6-oxopyridazine-3-carboxamide (PubChem CID 58072435) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is N,4-dimethoxy-N,1-dimethyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN,4-dimethoxy-N,1-dimethyl-6-oxopyridazine-3-carboxamide
PubChem CID58072435
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC NameN,4-dimethoxy-N,1-dimethyl-6-oxopyridazine-3-carboxamide
SMILESCOc1cc(=O)n(C)nc1C(=O)N(C)OC
InChIInChI=1S/C9H13N3O4/c1-11-7(13)5-6(15-3)8(10-11)9(14)12(2)16-4/h5H,1-4H3
InChIKeyXZHJXZWTLSGLKA-UHFFFAOYSA-N
XLogP-0.58
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-acetyl-5-methoxy-2-methylpyridazin-3-one
CID 58072223
N,4-dimethoxy-N-methyl-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 58072218
5,6-dimethoxy-2-methylpyridazin-3-one
CID 10607232
5-bromo-N-methoxy-N,1-dimethylindazole-3-carboxamide
CID 171512307
3-bromo-N-methoxy-N,1-dimethylpyrazole-5-carboxamide
CID 130752501
4-ethyl-N-methoxy-N,1-dimethylpyrazole-3-carboxamide
CID 54393293
N,3,5-trimethoxy-N,4-dimethylbenzamide
CID 23137896
N-methoxy-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 60731291
N,2,5,6-tetramethoxy-N-methylpyridine-3-carboxamide
CID 71300148
2-bromo-N,4,5-trimethoxy-N-methylbenzamide
CID 90127344
4-methoxy-N,N-bis(2-methylpropyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 8554268
1-methyl-6-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide
CID 31791793

Frequently Asked Questions

What is the IUPAC name of N,4-dimethoxy-N,1-dimethyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N,4-dimethoxy-N,1-dimethyl-6-oxopyridazine-3-carboxamide (CID 58072435) is N,4-dimethoxy-N,1-dimethyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N,4-dimethoxy-N,1-dimethyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N,4-dimethoxy-N,1-dimethyl-6-oxopyridazine-3-carboxamide is COc1cc(=O)n(C)nc1C(=O)N(C)OC.
What is the InChIKey of N,4-dimethoxy-N,1-dimethyl-6-oxopyridazine-3-carboxamide?
The InChIKey is XZHJXZWTLSGLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-11-7(13)5-6(15-3)8(10-11)9(14)12(2)16-4/h5H,1-4H3.
What are the key properties of N,4-dimethoxy-N,1-dimethyl-6-oxopyridazine-3-carboxamide?
N,4-dimethoxy-N,1-dimethyl-6-oxopyridazine-3-carboxamide has a molecular weight of 227.22 g/mol, XLogP of -0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethoxy-N,1-dimethyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 58072435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).