4-[6-(azepan-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide

C23H32N6O2 — CID 122334873

IUPAC4-[6-(azepan-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1
InChIInChI=1S/C23H32N6O2/c1-2-31-20-10-6-5-9-19(20)24-23(30)29-17-15-28(16-18-29)22-12-11-21(25-26-22)27-13-7-3-4-8-14-27/h5-6,9-12H,2-4,7-8,13-18H2,1H3,(H,24,30)
InChIKeyASNCJJDSWMCTLO-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.61
Rot. Bonds5

About 4-[6-(azepan-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide

4-[6-(azepan-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide (PubChem CID 122334873) has the molecular formula C23H32N6O2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 4-[6-(azepan-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[6-(azepan-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide
PubChem CID122334873
Molecular FormulaC23H32N6O2
Molecular Weight424.55 g/mol
Exact Mass424.26
IUPAC Name4-[6-(azepan-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1
InChIInChI=1S/C23H32N6O2/c1-2-31-20-10-6-5-9-19(20)24-23(30)29-17-15-28(16-18-29)22-12-11-21(25-26-22)27-13-7-3-4-8-14-27/h5-6,9-12H,2-4,7-8,13-18H2,1H3,(H,24,30)
InChIKeyASNCJJDSWMCTLO-UHFFFAOYSA-N
XLogP3.61
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethoxyphenyl)-4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazine-1-carboxamide
CID 56921511
N-(2-ethoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108989544
N-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 108988617
4-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113111741
N-(2-ethoxyphenyl)-4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 90627085
4-cyclopropylidene-N-(2-ethoxyphenyl)piperidine-1-carboxamide
CID 121187160
4-(6-piperidin-1-ylpyridazin-3-yl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 122334838
methyl 2-[4-[(2-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113699
N-(2-ethoxyphenyl)-4-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113542
4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 6468674
N-(2-ethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 46375427
ethyl 6-[4-[[2-(2-methylpropoxy)phenyl]carbamoyl]-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 56518793

Frequently Asked Questions

What is the IUPAC name of 4-[6-(azepan-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[6-(azepan-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide (CID 122334873) is 4-[6-(azepan-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[6-(azepan-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[6-(azepan-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide is CCOc1ccccc1NC(=O)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1.
What is the InChIKey of 4-[6-(azepan-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is ASNCJJDSWMCTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O2/c1-2-31-20-10-6-5-9-19(20)24-23(30)29-17-15-28(16-18-29)22-12-11-21(25-26-22)27-13-7-3-4-8-14-27/h5-6,9-12H,2-4,7-8,13-18H2,1H3,(H,24,30).
What are the key properties of 4-[6-(azepan-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide?
4-[6-(azepan-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(azepan-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 122334873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).