4-[6-(diethylamino)pyridazin-3-yl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide

C20H27FN6O — CID 122335449

IUPAC4-[6-(diethylamino)pyridazin-3-yl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide
SMILESCCN(CC)c1ccc(N2CCN(C(=O)Nc3ccc(C)c(F)c3)CC2)nn1
InChIInChI=1S/C20H27FN6O/c1-4-25(5-2)18-8-9-19(24-23-18)26-10-12-27(13-11-26)20(28)22-16-7-6-15(3)17(21)14-16/h6-9,14H,4-5,10-13H2,1-3H3,(H,22,28)
InChIKeyPURKDJWGMBEPFE-UHFFFAOYSA-N
MW386.48 g/mol
LogP3.12
Rot. Bonds5

About 4-[6-(diethylamino)pyridazin-3-yl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide

4-[6-(diethylamino)pyridazin-3-yl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide (PubChem CID 122335449) has the molecular formula C20H27FN6O and a molecular weight of 386.48 g/mol. Its IUPAC name is 4-[6-(diethylamino)pyridazin-3-yl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[6-(diethylamino)pyridazin-3-yl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide
PubChem CID122335449
Molecular FormulaC20H27FN6O
Molecular Weight386.48 g/mol
Exact Mass386.22
IUPAC Name4-[6-(diethylamino)pyridazin-3-yl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide
SMILESCCN(CC)c1ccc(N2CCN(C(=O)Nc3ccc(C)c(F)c3)CC2)nn1
InChIInChI=1S/C20H27FN6O/c1-4-25(5-2)18-8-9-19(24-23-18)26-10-12-27(13-11-26)20(28)22-16-7-6-15(3)17(21)14-16/h6-9,14H,4-5,10-13H2,1-3H3,(H,22,28)
InChIKeyPURKDJWGMBEPFE-UHFFFAOYSA-N
XLogP3.12
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-4-[6-(diethylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335421
N-[3,5-bis(trifluoromethyl)phenyl]-4-[6-(diethylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335459
4-[6-(diethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 122335422
N-(3-chloro-4-methylphenyl)-4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 122333978
N-(3-fluoro-4-methylphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335740
N-(3-fluoro-4-methylphenyl)-4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 56922523
N-(3-fluoro-4-methylphenyl)-4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazine-1-carboxamide
CID 47000911
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 122335628
N-(3-chloro-4-methylphenyl)-4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 50945027
N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 71778546
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 122335542
N-(3-carbamoyl-4-fluorophenyl)-4-(6-ethoxypyridazin-3-yl)piperazine-1-carboxamide
CID 136552966

Frequently Asked Questions

What is the IUPAC name of 4-[6-(diethylamino)pyridazin-3-yl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[6-(diethylamino)pyridazin-3-yl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide (CID 122335449) is 4-[6-(diethylamino)pyridazin-3-yl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[6-(diethylamino)pyridazin-3-yl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[6-(diethylamino)pyridazin-3-yl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide is CCN(CC)c1ccc(N2CCN(C(=O)Nc3ccc(C)c(F)c3)CC2)nn1.
What is the InChIKey of 4-[6-(diethylamino)pyridazin-3-yl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide?
The InChIKey is PURKDJWGMBEPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN6O/c1-4-25(5-2)18-8-9-19(24-23-18)26-10-12-27(13-11-26)20(28)22-16-7-6-15(3)17(21)14-16/h6-9,14H,4-5,10-13H2,1-3H3,(H,22,28).
What are the key properties of 4-[6-(diethylamino)pyridazin-3-yl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide?
4-[6-(diethylamino)pyridazin-3-yl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(diethylamino)pyridazin-3-yl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 122335449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).