N-(3,4-dimethoxyphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide

C18H24N4O3 — CID 109125202

IUPACN-(3,4-dimethoxyphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(NCCC(C)C)nn2)cc1OC
InChIInChI=1S/C18H24N4O3/c1-12(2)9-10-19-17-8-6-14(21-22-17)18(23)20-13-5-7-15(24-3)16(11-13)25-4/h5-8,11-12H,9-10H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyGOHLZBCFYHXYRL-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.20
Rot. Bonds8

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

N-(3,4-dimethoxyphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide (PubChem CID 109125202) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
PubChem CID109125202
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-(3,4-dimethoxyphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(NCCC(C)C)nn2)cc1OC
InChIInChI=1S/C18H24N4O3/c1-12(2)9-10-19-17-8-6-14(21-22-17)18(23)20-13-5-7-15(24-3)16(11-13)25-4/h5-8,11-12H,9-10H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyGOHLZBCFYHXYRL-UHFFFAOYSA-N
XLogP3.20
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111097
N-(3,4-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195662
N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109123460
N-(4-bromophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125190
6-(3-methylbutylamino)-N-phenylpyridazine-3-carboxamide
CID 109125155
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-chloro-3-(trifluoromethyl)phenyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125237
N-(4-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125184
3,4,5-trimethoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
CID 113044532
6-(3-methylbutylamino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111229
6-(3,4-dimethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129388

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide (CID 109125202) is N-(3,4-dimethoxyphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide is COc1ccc(NC(=O)c2ccc(NCCC(C)C)nn2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide?
The InChIKey is GOHLZBCFYHXYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12(2)9-10-19-17-8-6-14(21-22-17)18(23)20-13-5-7-15(24-3)16(11-13)25-4/h5-8,11-12H,9-10H2,1-4H3,(H,19,22)(H,20,23).
What are the key properties of N-(3,4-dimethoxyphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide?
N-(3,4-dimethoxyphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 3.20, 8 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-(3-methylbutylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109125202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).