N-(4-ethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide

C21H28N6O — CID 122334280

IUPACN-(4-ethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCN(c3ccc(N4CCCC4)nn3)CC2)cc1
InChIInChI=1S/C21H28N6O/c1-2-17-5-7-18(8-6-17)22-21(28)27-15-13-26(14-16-27)20-10-9-19(23-24-20)25-11-3-4-12-25/h5-10H,2-4,11-16H2,1H3,(H,22,28)
InChIKeyXDZKIIMENQAZAH-UHFFFAOYSA-N
MW380.50 g/mol
LogP2.99
Rot. Bonds4

About N-(4-ethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide

N-(4-ethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide (PubChem CID 122334280) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
PubChem CID122334280
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC NameN-(4-ethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCN(c3ccc(N4CCCC4)nn3)CC2)cc1
InChIInChI=1S/C21H28N6O/c1-2-17-5-7-18(8-6-17)22-21(28)27-15-13-26(14-16-27)20-10-9-19(23-24-20)25-11-3-4-12-25/h5-10H,2-4,11-16H2,1H3,(H,22,28)
InChIKeyXDZKIIMENQAZAH-UHFFFAOYSA-N
XLogP2.99
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 56921616
N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334278
4-[6-(azepan-1-yl)pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 122334859
4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 47001565
6-(azepan-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide
CID 109126365
N-(3,5-dimethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334290
4-[6-(ethylamino)pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 122350650
N-(4-tert-butylphenyl)-4-[6-(ethylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 122350969
4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 122336600
N-(4-chlorophenyl)-4-[6-(diethylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335421
N-(4-ethylphenyl)-4-(6-phenylpyrimidin-4-yl)piperazine-1-carboxamide
CID 53104085
N-(1,3-benzodioxol-5-yl)-4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334562

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide (CID 122334280) is N-(4-ethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide is CCc1ccc(NC(=O)N2CCN(c3ccc(N4CCCC4)nn3)CC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide?
The InChIKey is XDZKIIMENQAZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c1-2-17-5-7-18(8-6-17)22-21(28)27-15-13-26(14-16-27)20-10-9-19(23-24-20)25-11-3-4-12-25/h5-10H,2-4,11-16H2,1H3,(H,22,28).
What are the key properties of N-(4-ethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide?
N-(4-ethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide has a molecular weight of 380.50 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 122334280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).