N-[3-(4-ethylpiperazin-1-yl)propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide

C23H39N7O — CID 50771872

IUPACN-[3-(4-ethylpiperazin-1-yl)propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCCN1CCN(CCCNC(=O)C2CCN(c3ccc(N4CCCC4)nn3)CC2)CC1
InChIInChI=1S/C23H39N7O/c1-2-27-16-18-28(19-17-27)11-5-10-24-23(31)20-8-14-30(15-9-20)22-7-6-21(25-26-22)29-12-3-4-13-29/h6-7,20H,2-5,8-19H2,1H3,(H,24,31)
InChIKeyZKVPNUIOOVFLJV-UHFFFAOYSA-N
MW429.61 g/mol
LogP1.44
Rot. Bonds8

About N-[3-(4-ethylpiperazin-1-yl)propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide

N-[3-(4-ethylpiperazin-1-yl)propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 50771872) has the molecular formula C23H39N7O and a molecular weight of 429.61 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID50771872
Molecular FormulaC23H39N7O
Molecular Weight429.61 g/mol
Exact Mass429.32
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCCN1CCN(CCCNC(=O)C2CCN(c3ccc(N4CCCC4)nn3)CC2)CC1
InChIInChI=1S/C23H39N7O/c1-2-27-16-18-28(19-17-27)11-5-10-24-23(31)20-8-14-30(15-9-20)22-7-6-21(25-26-22)29-12-3-4-13-29/h6-7,20H,2-5,8-19H2,1H3,(H,24,31)
InChIKeyZKVPNUIOOVFLJV-UHFFFAOYSA-N
XLogP1.44
TPSA67.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.61
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-4-yl)methanone
CID 95826552
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
N~4~-{3-[Cyclohexyl(methyl)amino]propyl}-1-(6-morpholino-3-pyridazinyl)-4-piperidinecarboxamide
CID 50771884

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide (CID 50771872) is N-[3-(4-ethylpiperazin-1-yl)propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide is CCN1CCN(CCCNC(=O)C2CCN(c3ccc(N4CCCC4)nn3)CC2)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is ZKVPNUIOOVFLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N7O/c1-2-27-16-18-28(19-17-27)11-5-10-24-23(31)20-8-14-30(15-9-20)22-7-6-21(25-26-22)29-12-3-4-13-29/h6-7,20H,2-5,8-19H2,1H3,(H,24,31).
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
N-[3-(4-ethylpiperazin-1-yl)propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 429.61 g/mol, XLogP of 1.44, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 50771872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).