N-(2-amino-4,5-dimethoxyphenyl)pyridazine-4-carboxamide

C13H14N4O3 — CID 104669163

IUPACN-(2-amino-4,5-dimethoxyphenyl)pyridazine-4-carboxamide
SMILESCOc1cc(N)c(NC(=O)c2ccnnc2)cc1OC
InChIInChI=1S/C13H14N4O3/c1-19-11-5-9(14)10(6-12(11)20-2)17-13(18)8-3-4-15-16-7-8/h3-7H,14H2,1-2H3,(H,17,18)
InChIKeyPKFXZXPOYDFDCE-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.33
Rot. Bonds4

About N-(2-amino-4,5-dimethoxyphenyl)pyridazine-4-carboxamide

N-(2-amino-4,5-dimethoxyphenyl)pyridazine-4-carboxamide (PubChem CID 104669163) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-(2-amino-4,5-dimethoxyphenyl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4,5-dimethoxyphenyl)pyridazine-4-carboxamide
PubChem CID104669163
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC NameN-(2-amino-4,5-dimethoxyphenyl)pyridazine-4-carboxamide
SMILESCOc1cc(N)c(NC(=O)c2ccnnc2)cc1OC
InChIInChI=1S/C13H14N4O3/c1-19-11-5-9(14)10(6-12(11)20-2)17-13(18)8-3-4-15-16-7-8/h3-7H,14H2,1-2H3,(H,17,18)
InChIKeyPKFXZXPOYDFDCE-UHFFFAOYSA-N
XLogP1.33
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxyphenyl)pyridazine-3-carboxamide
CID 5297391
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethyl-4-pyrazolecarboxamide
CID 5301257
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 4464934
N-(3,4-dimethoxyphenyl)-1-methyl-4-(pyridin-4-ylmethylamino)-1H-pyrazole-5-carboxamide
CID 44439484
N-(3,4-dimethoxyphenyl)-5-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 850904
N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 776888
N-(2-amino-4-methoxyphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 129017185
6-(3,4-Dimethoxyphenyl)pyrido[4,3-c]pyridazin-5-one
CID 15707718
N-(3,4-dimethoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 16579162
N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280878
N-[4-(difluoromethoxy)-3-methoxyphenyl]-1,5-dimethylpyrazole-4-carboxamide
CID 19474112
N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474410

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,5-dimethoxyphenyl)pyridazine-4-carboxamide?
The IUPAC name of N-(2-amino-4,5-dimethoxyphenyl)pyridazine-4-carboxamide (CID 104669163) is N-(2-amino-4,5-dimethoxyphenyl)pyridazine-4-carboxamide.
What is the SMILES notation for N-(2-amino-4,5-dimethoxyphenyl)pyridazine-4-carboxamide?
The canonical SMILES for N-(2-amino-4,5-dimethoxyphenyl)pyridazine-4-carboxamide is COc1cc(N)c(NC(=O)c2ccnnc2)cc1OC.
What is the InChIKey of N-(2-amino-4,5-dimethoxyphenyl)pyridazine-4-carboxamide?
The InChIKey is PKFXZXPOYDFDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-19-11-5-9(14)10(6-12(11)20-2)17-13(18)8-3-4-15-16-7-8/h3-7H,14H2,1-2H3,(H,17,18).
What are the key properties of N-(2-amino-4,5-dimethoxyphenyl)pyridazine-4-carboxamide?
N-(2-amino-4,5-dimethoxyphenyl)pyridazine-4-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,5-dimethoxyphenyl)pyridazine-4-carboxamide is sourced from PubChem (CID 104669163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).