N-butyl-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidine-3-carboxamide

C20H34N6O — CID 50785655

IUPACN-butyl-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCN(c2ccc(N3CCN(CC)CC3)nn2)C1
InChIInChI=1S/C20H34N6O/c1-3-5-10-21-20(27)17-7-6-11-26(16-17)19-9-8-18(22-23-19)25-14-12-24(4-2)13-15-25/h8-9,17H,3-7,10-16H2,1-2H3,(H,21,27)
InChIKeyJNRVQNPTZXBSLJ-UHFFFAOYSA-N
MW374.53 g/mol
LogP1.75
Rot. Bonds7

About N-butyl-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidine-3-carboxamide

N-butyl-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidine-3-carboxamide (PubChem CID 50785655) has the molecular formula C20H34N6O and a molecular weight of 374.53 g/mol. Its IUPAC name is N-butyl-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
PubChem CID50785655
Molecular FormulaC20H34N6O
Molecular Weight374.53 g/mol
Exact Mass374.28
IUPAC NameN-butyl-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCN(c2ccc(N3CCN(CC)CC3)nn2)C1
InChIInChI=1S/C20H34N6O/c1-3-5-10-21-20(27)17-7-6-11-26(16-17)19-9-8-18(22-23-19)25-14-12-24(4-2)13-15-25/h8-9,17H,3-7,10-16H2,1-2H3,(H,21,27)
InChIKeyJNRVQNPTZXBSLJ-UHFFFAOYSA-N
XLogP1.75
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 16188092
N-[2-(dimethylamino)ethyl]-2-(1-pyridazin-3-ylpiperidin-4-yl)acetamide
CID 95817059
(4-Methylpiperazin-1-yl)-(1-pyridazin-3-ylpiperidin-3-yl)methanone
CID 110257923
(4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)(cyclohexyl)methanone
CID 7292427
Cyclohexyl(4-(6-(2-methylpiperidin-1-yl)pyridazin-3-yl)piperazin-1-yl)methanone
CID 18584530
N-(2-methoxyethyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20865083
N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 46297902
Azepan-1-yl-[1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 46297903
N-{3-[cyclohexyl(methyl)amino]propyl}-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771154
N-[3-(4-ethylpiperazin-1-yl)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771807
N-cyclohexyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771821
N-[3-(3-Methylpiperidino)propyl]-1-(6-piperidino-3-pyridazinyl)-4-piperidinecarboxamide
CID 50771825

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidine-3-carboxamide?
The IUPAC name of N-butyl-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidine-3-carboxamide (CID 50785655) is N-butyl-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-butyl-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidine-3-carboxamide?
The canonical SMILES for N-butyl-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidine-3-carboxamide is CCCCNC(=O)C1CCCN(c2ccc(N3CCN(CC)CC3)nn2)C1.
What is the InChIKey of N-butyl-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidine-3-carboxamide?
The InChIKey is JNRVQNPTZXBSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N6O/c1-3-5-10-21-20(27)17-7-6-11-26(16-17)19-9-8-18(22-23-19)25-14-12-24(4-2)13-15-25/h8-9,17H,3-7,10-16H2,1-2H3,(H,21,27).
What are the key properties of N-butyl-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidine-3-carboxamide?
N-butyl-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidine-3-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 50785655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).