N-(3,4-dimethoxyphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide

C17H22N4O3 — CID 109111097

IUPACN-(3,4-dimethoxyphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(NCC(C)C)nn2)cc1OC
InChIInChI=1S/C17H22N4O3/c1-11(2)10-18-16-8-6-13(20-21-16)17(22)19-12-5-7-14(23-3)15(9-12)24-4/h5-9,11H,10H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyIDYABQCTINBESJ-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.81
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide

N-(3,4-dimethoxyphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide (PubChem CID 109111097) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
PubChem CID109111097
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-(3,4-dimethoxyphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(NCC(C)C)nn2)cc1OC
InChIInChI=1S/C17H22N4O3/c1-11(2)10-18-16-8-6-13(20-21-16)17(22)19-12-5-7-14(23-3)15(9-12)24-4/h5-9,11H,10H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyIDYABQCTINBESJ-UHFFFAOYSA-N
XLogP2.81
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125202
6-(tert-butylamino)-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109124776
N-(3,4-dimethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120232
N-(4-bromophenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111085
6-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109111066
N-(3-chloro-4-fluorophenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111081
N-(4-bromo-3-methylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111125
N-(4-ethylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111062
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111127
N-(3-acetylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111101
N-(3,4-dimethoxyphenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 109248760
N-(3,4-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195662

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide (CID 109111097) is N-(3,4-dimethoxyphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide is COc1ccc(NC(=O)c2ccc(NCC(C)C)nn2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide?
The InChIKey is IDYABQCTINBESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11(2)10-18-16-8-6-13(20-21-16)17(22)19-12-5-7-14(23-3)15(9-12)24-4/h5-9,11H,10H2,1-4H3,(H,18,21)(H,19,22).
What are the key properties of N-(3,4-dimethoxyphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide?
N-(3,4-dimethoxyphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109111097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).