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

C20H21N5O2 — CID 109122715

IUPAC6-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
SMILESCOc1cccc(Nc2ccc(C(=O)N(C)CCc3ccncc3)nn2)c1
InChIInChI=1S/C20H21N5O2/c1-25(13-10-15-8-11-21-12-9-15)20(26)18-6-7-19(24-23-18)22-16-4-3-5-17(14-16)27-2/h3-9,11-12,14H,10,13H2,1-2H3,(H,22,24)
InChIKeyLSIMZMQJZOBATJ-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.94
Rot. Bonds7

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

6-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide (PubChem CID 109122715) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 6-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
PubChem CID109122715
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name6-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
SMILESCOc1cccc(Nc2ccc(C(=O)N(C)CCc3ccncc3)nn2)c1
InChIInChI=1S/C20H21N5O2/c1-25(13-10-15-8-11-21-12-9-15)20(26)18-6-7-19(24-23-18)22-16-4-3-5-17(14-16)27-2/h3-9,11-12,14H,10,13H2,1-2H3,(H,22,24)
InChIKeyLSIMZMQJZOBATJ-UHFFFAOYSA-N
XLogP2.94
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109237031
6-(2,3-dimethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
CID 109122689
N-(3-methoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108948960
N-methyl-6-(2-propan-2-yloxyanilino)-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
CID 109122720
N-methyl-6-(propan-2-ylamino)-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
CID 109109444
2-N-(3-methoxyphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109138121
N-benzyl-6-(3-methoxyanilino)pyridazine-3-carboxamide
CID 109117932
5-(3-acetamidoanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109192922
4-(3-methoxyphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 77093047
methyl 3-[[5-[methyl(2-pyridin-4-ylethyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109159242
4-(2-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214693
5-[(4-methoxyphenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109190465

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide (CID 109122715) is 6-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide is COc1cccc(Nc2ccc(C(=O)N(C)CCc3ccncc3)nn2)c1.
What is the InChIKey of 6-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide?
The InChIKey is LSIMZMQJZOBATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-25(13-10-15-8-11-21-12-9-15)20(26)18-6-7-19(24-23-18)22-16-4-3-5-17(14-16)27-2/h3-9,11-12,14H,10,13H2,1-2H3,(H,22,24).
What are the key properties of 6-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide?
6-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109122715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).