N-(4-ethylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide

C17H22N4O — CID 109111062

IUPACN-(4-ethylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
SMILESCCc1ccc(NC(=O)c2ccc(NCC(C)C)nn2)cc1
InChIInChI=1S/C17H22N4O/c1-4-13-5-7-14(8-6-13)19-17(22)15-9-10-16(21-20-15)18-11-12(2)3/h5-10,12H,4,11H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyPTPBAVGGBWGNCD-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.36
Rot. Bonds6

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

N-(4-ethylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide (PubChem CID 109111062) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(4-ethylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
PubChem CID109111062
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-(4-ethylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
SMILESCCc1ccc(NC(=O)c2ccc(NCC(C)C)nn2)cc1
InChIInChI=1S/C17H22N4O/c1-4-13-5-7-14(8-6-13)19-17(22)15-9-10-16(21-20-15)18-11-12(2)3/h5-10,12H,4,11H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyPTPBAVGGBWGNCD-UHFFFAOYSA-N
XLogP3.36
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-(4-ethylphenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62248142
N-(4-ethylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114172
N-(3,4-dimethoxyphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111097
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
6-(4-ethylanilino)-N-phenylpyridazine-3-carboxamide
CID 109126657
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-(4-ethylphenyl)-6-methylpyridazine-3-carboxamide
CID 110705292
ethyl 4-[[6-(4-ethylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109127983

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide (CID 109111062) is N-(4-ethylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide is CCc1ccc(NC(=O)c2ccc(NCC(C)C)nn2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide?
The InChIKey is PTPBAVGGBWGNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-4-13-5-7-14(8-6-13)19-17(22)15-9-10-16(21-20-15)18-11-12(2)3/h5-10,12H,4,11H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of N-(4-ethylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide?
N-(4-ethylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109111062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).