6-(2,3-dimethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide

C21H23N5O — CID 109122689

IUPAC6-(2,3-dimethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
SMILESCc1cccc(Nc2ccc(C(=O)N(C)CCc3ccncc3)nn2)c1C
InChIInChI=1S/C21H23N5O/c1-15-5-4-6-18(16(15)2)23-20-8-7-19(24-25-20)21(27)26(3)14-11-17-9-12-22-13-10-17/h4-10,12-13H,11,14H2,1-3H3,(H,23,25)
InChIKeyZJXQNJOWSRVCKR-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.55
Rot. Bonds6

About 6-(2,3-dimethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide

6-(2,3-dimethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide (PubChem CID 109122689) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 6-(2,3-dimethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2,3-dimethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
PubChem CID109122689
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name6-(2,3-dimethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
SMILESCc1cccc(Nc2ccc(C(=O)N(C)CCc3ccncc3)nn2)c1C
InChIInChI=1S/C21H23N5O/c1-15-5-4-6-18(16(15)2)23-20-8-7-19(24-25-20)21(27)26(3)14-11-17-9-12-22-13-10-17/h4-10,12-13H,11,14H2,1-3H3,(H,23,25)
InChIKeyZJXQNJOWSRVCKR-UHFFFAOYSA-N
XLogP3.55
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(2,3-dimethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide with MolForge

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Related Compounds

N-methyl-6-(2-propan-2-yloxyanilino)-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
CID 109122720
2-(2,3-dimethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide
CID 109260609
6-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
CID 109122715
N-methyl-6-(propan-2-ylamino)-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
CID 109109444
3-N-(2,3-dimethylphenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109106467
6-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
CID 109121915
N,2-dimethyl-N-(2-pyridin-4-ylethyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109372367
5-(2-fluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
CID 109285014
5-(2-ethyl-6-methylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109192888
N-methyl-N-(2-pyridin-4-ylethyl)cinnoline-3-carboxamide
CID 110705070
6-(2-ethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109351686
N-methyl-N-(2-pyridin-4-ylethyl)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109351665

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(2,3-dimethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide (CID 109122689) is 6-(2,3-dimethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2,3-dimethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(2,3-dimethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide is Cc1cccc(Nc2ccc(C(=O)N(C)CCc3ccncc3)nn2)c1C.
What is the InChIKey of 6-(2,3-dimethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide?
The InChIKey is ZJXQNJOWSRVCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-15-5-4-6-18(16(15)2)23-20-8-7-19(24-25-20)21(27)26(3)14-11-17-9-12-22-13-10-17/h4-10,12-13H,11,14H2,1-3H3,(H,23,25).
What are the key properties of 6-(2,3-dimethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide?
6-(2,3-dimethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109122689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).