6-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide

C21H22FN5O — CID 109121915

IUPAC6-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1ccc(NCCc2ccccc2F)nn1
InChIInChI=1S/C21H22FN5O/c1-27(15-11-16-8-12-23-13-9-16)21(28)19-6-7-20(26-25-19)24-14-10-17-4-2-3-5-18(17)22/h2-9,12-13H,10-11,14-15H2,1H3,(H,24,26)
InChIKeyJVKZKSAJMCXWFZ-UHFFFAOYSA-N
MW379.44 g/mol
LogP2.98
Rot. Bonds8

About 6-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide

6-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide (PubChem CID 109121915) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is 6-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
PubChem CID109121915
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC Name6-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1ccc(NCCc2ccccc2F)nn1
InChIInChI=1S/C21H22FN5O/c1-27(15-11-16-8-12-23-13-9-16)21(28)19-6-7-20(26-25-19)24-14-10-17-4-2-3-5-18(17)22/h2-9,12-13H,10-11,14-15H2,1H3,(H,24,26)
InChIKeyJVKZKSAJMCXWFZ-UHFFFAOYSA-N
XLogP2.98
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214020
6-[2-(2-fluorophenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121372
N-methyl-6-(propan-2-ylamino)-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
CID 109109444
N-ethyl-6-[2-(2-fluorophenyl)ethylamino]-N-phenylpyridazine-3-carboxamide
CID 109121948
6-[2-(4-chlorophenyl)ethylamino]-N-[2-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109121995
2-[(2-fluorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide
CID 109257019
1-N-[(2-fluorophenyl)methyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109047167
6-[2-(2-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109351161
6-(2,3-dimethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
CID 109122689
N-[2-(2-fluorophenyl)ethyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109113743
N-methyl-6-(2-propan-2-yloxyanilino)-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
CID 109122720
N-methyl-6-(2-phenylethylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109158205

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide (CID 109121915) is 6-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide is CN(CCc1ccncc1)C(=O)c1ccc(NCCc2ccccc2F)nn1.
What is the InChIKey of 6-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide?
The InChIKey is JVKZKSAJMCXWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O/c1-27(15-11-16-8-12-23-13-9-16)21(28)19-6-7-20(26-25-19)24-14-10-17-4-2-3-5-18(17)22/h2-9,12-13H,10-11,14-15H2,1H3,(H,24,26).
What are the key properties of 6-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide?
6-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109121915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).