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

C20H28N6O2 — CID 122335422

IUPAC4-[6-(diethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
SMILESCCN(CC)c1ccc(N2CCN(C(=O)Nc3cccc(OC)c3)CC2)nn1
InChIInChI=1S/C20H28N6O2/c1-4-24(5-2)18-9-10-19(23-22-18)25-11-13-26(14-12-25)20(27)21-16-7-6-8-17(15-16)28-3/h6-10,15H,4-5,11-14H2,1-3H3,(H,21,27)
InChIKeyNAGRLSQBQHHERN-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.69
Rot. Bonds6

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

4-[6-(diethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 122335422) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-[6-(diethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[6-(diethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
PubChem CID122335422
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name4-[6-(diethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
SMILESCCN(CC)c1ccc(N2CCN(C(=O)Nc3cccc(OC)c3)CC2)nn1
InChIInChI=1S/C20H28N6O2/c1-4-24(5-2)18-9-10-19(23-22-18)25-11-13-26(14-12-25)20(27)21-16-7-6-8-17(15-16)28-3/h6-10,15H,4-5,11-14H2,1-3H3,(H,21,27)
InChIKeyNAGRLSQBQHHERN-UHFFFAOYSA-N
XLogP2.69
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-(ethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 122350638
4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 16812679
N-(4-chlorophenyl)-4-[6-(diethylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335421
4-[6-(diethylamino)pyridazin-3-yl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide
CID 122335449
N-[3,5-bis(trifluoromethyl)phenyl]-4-[6-(diethylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335459
N-(3-methoxyphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335713
4-(6-ethoxy-2-pyridinyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 136524178
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone
CID 122335592
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 121053866
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
CID 121053870
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 122335617

Frequently Asked Questions

What is the IUPAC name of 4-[6-(diethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[6-(diethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide (CID 122335422) is 4-[6-(diethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[6-(diethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[6-(diethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide is CCN(CC)c1ccc(N2CCN(C(=O)Nc3cccc(OC)c3)CC2)nn1.
What is the InChIKey of 4-[6-(diethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is NAGRLSQBQHHERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-4-24(5-2)18-9-10-19(23-22-18)25-11-13-26(14-12-25)20(27)21-16-7-6-8-17(15-16)28-3/h6-10,15H,4-5,11-14H2,1-3H3,(H,21,27).
What are the key properties of 4-[6-(diethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide?
4-[6-(diethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(diethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 122335422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).