6-(N-ethyl-3-methylanilino)-N-prop-2-enylpyridazine-3-carboxamide

C17H20N4O — CID 109110572

IUPAC6-(N-ethyl-3-methylanilino)-N-prop-2-enylpyridazine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(N(CC)c2cccc(C)c2)nn1
InChIInChI=1S/C17H20N4O/c1-4-11-18-17(22)15-9-10-16(20-19-15)21(5-2)14-8-6-7-13(3)12-14/h4,6-10,12H,1,5,11H2,2-3H3,(H,18,22)
InChIKeyFVUKPEMPSPRZFK-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.86
Rot. Bonds6

About 6-(N-ethyl-3-methylanilino)-N-prop-2-enylpyridazine-3-carboxamide

6-(N-ethyl-3-methylanilino)-N-prop-2-enylpyridazine-3-carboxamide (PubChem CID 109110572) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 6-(N-ethyl-3-methylanilino)-N-prop-2-enylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(N-ethyl-3-methylanilino)-N-prop-2-enylpyridazine-3-carboxamide
PubChem CID109110572
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name6-(N-ethyl-3-methylanilino)-N-prop-2-enylpyridazine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(N(CC)c2cccc(C)c2)nn1
InChIInChI=1S/C17H20N4O/c1-4-11-18-17(22)15-9-10-16(20-19-15)21(5-2)14-8-6-7-13(3)12-14/h4,6-10,12H,1,5,11H2,2-3H3,(H,18,22)
InChIKeyFVUKPEMPSPRZFK-UHFFFAOYSA-N
XLogP2.86
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-6-(N-ethyl-3-methylanilino)pyridazine-3-carboxamide
CID 109124947
6-(N-ethyl-3-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109120151
methyl 3-[[6-(N-ethyl-3-methylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109129968
ethyl 4-[6-(N-ethyl-3-methylanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate
CID 109123908
[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 109114792
N-[2-(dimethylamino)ethyl]-6-(N-ethyl-3-methylanilino)-2-methylpyrimidine-4-carboxamide
CID 109366329
N-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]ethanesulfonamide
CID 113051444
1-N'-ethyl-1-N'-(3-methylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970969
N-[3-(dimethylamino)propyl]-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109186079
N-[2-(cyclohexen-1-yl)ethyl]-6-(N-ethylanilino)pyridazine-3-carboxamide
CID 109113669
5-(N-ethyl-3-methylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181194
N-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]-3,4-dimethoxybenzamide
CID 113051420

Frequently Asked Questions

What is the IUPAC name of 6-(N-ethyl-3-methylanilino)-N-prop-2-enylpyridazine-3-carboxamide?
The IUPAC name of 6-(N-ethyl-3-methylanilino)-N-prop-2-enylpyridazine-3-carboxamide (CID 109110572) is 6-(N-ethyl-3-methylanilino)-N-prop-2-enylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(N-ethyl-3-methylanilino)-N-prop-2-enylpyridazine-3-carboxamide?
The canonical SMILES for 6-(N-ethyl-3-methylanilino)-N-prop-2-enylpyridazine-3-carboxamide is C=CCNC(=O)c1ccc(N(CC)c2cccc(C)c2)nn1.
What is the InChIKey of 6-(N-ethyl-3-methylanilino)-N-prop-2-enylpyridazine-3-carboxamide?
The InChIKey is FVUKPEMPSPRZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-4-11-18-17(22)15-9-10-16(20-19-15)21(5-2)14-8-6-7-13(3)12-14/h4,6-10,12H,1,5,11H2,2-3H3,(H,18,22).
What are the key properties of 6-(N-ethyl-3-methylanilino)-N-prop-2-enylpyridazine-3-carboxamide?
6-(N-ethyl-3-methylanilino)-N-prop-2-enylpyridazine-3-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N-ethyl-3-methylanilino)-N-prop-2-enylpyridazine-3-carboxamide is sourced from PubChem (CID 109110572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).