N-tert-butyl-6-(N-ethyl-3-methylanilino)pyridazine-3-carboxamide

C18H24N4O — CID 109124947

IUPACN-tert-butyl-6-(N-ethyl-3-methylanilino)pyridazine-3-carboxamide
SMILESCCN(c1cccc(C)c1)c1ccc(C(=O)NC(C)(C)C)nn1
InChIInChI=1S/C18H24N4O/c1-6-22(14-9-7-8-13(2)12-14)16-11-10-15(20-21-16)17(23)19-18(3,4)5/h7-12H,6H2,1-5H3,(H,19,23)
InChIKeyBMNGLCJHQLLPTM-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.47
Rot. Bonds4

About N-tert-butyl-6-(N-ethyl-3-methylanilino)pyridazine-3-carboxamide

N-tert-butyl-6-(N-ethyl-3-methylanilino)pyridazine-3-carboxamide (PubChem CID 109124947) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-tert-butyl-6-(N-ethyl-3-methylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-(N-ethyl-3-methylanilino)pyridazine-3-carboxamide
PubChem CID109124947
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-tert-butyl-6-(N-ethyl-3-methylanilino)pyridazine-3-carboxamide
SMILESCCN(c1cccc(C)c1)c1ccc(C(=O)NC(C)(C)C)nn1
InChIInChI=1S/C18H24N4O/c1-6-22(14-9-7-8-13(2)12-14)16-11-10-15(20-21-16)17(23)19-18(3,4)5/h7-12H,6H2,1-5H3,(H,19,23)
InChIKeyBMNGLCJHQLLPTM-UHFFFAOYSA-N
XLogP3.47
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109195162
6-(N-ethyl-3-methylanilino)-N-prop-2-enylpyridazine-3-carboxamide
CID 109110572
methyl 3-[[6-(N-ethyl-3-methylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109129968
6-(N-ethyl-3-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109120151
[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 109114792
ethyl 4-[6-(N-ethyl-3-methylanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate
CID 109123908
N-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]ethanesulfonamide
CID 113051444
N-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]-3,4-dimethoxybenzamide
CID 113051420
N-tert-butyl-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109124848
3-N,6-N-ditert-butylpyridazine-3,6-dicarboxamide
CID 139234600
N-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 113051425
6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid
CID 61101859

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(N-ethyl-3-methylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-tert-butyl-6-(N-ethyl-3-methylanilino)pyridazine-3-carboxamide (CID 109124947) is N-tert-butyl-6-(N-ethyl-3-methylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-6-(N-ethyl-3-methylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-tert-butyl-6-(N-ethyl-3-methylanilino)pyridazine-3-carboxamide is CCN(c1cccc(C)c1)c1ccc(C(=O)NC(C)(C)C)nn1.
What is the InChIKey of N-tert-butyl-6-(N-ethyl-3-methylanilino)pyridazine-3-carboxamide?
The InChIKey is BMNGLCJHQLLPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-6-22(14-9-7-8-13(2)12-14)16-11-10-15(20-21-16)17(23)19-18(3,4)5/h7-12H,6H2,1-5H3,(H,19,23).
What are the key properties of N-tert-butyl-6-(N-ethyl-3-methylanilino)pyridazine-3-carboxamide?
N-tert-butyl-6-(N-ethyl-3-methylanilino)pyridazine-3-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(N-ethyl-3-methylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109124947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).