N-[2-(4-methylpiperazin-1-yl)ethyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide

C21H35N7O — CID 46297885

IUPACN-[2-(4-methylpiperazin-1-yl)ethyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCN1CCN(CCNC(=O)C2CCN(c3ccc(N4CCCC4)nn3)CC2)CC1
InChIInChI=1S/C21H35N7O/c1-25-14-16-26(17-15-25)13-8-22-21(29)18-6-11-28(12-7-18)20-5-4-19(23-24-20)27-9-2-3-10-27/h4-5,18H,2-3,6-17H2,1H3,(H,22,29)
InChIKeyHGUQVWSNCDIVLU-UHFFFAOYSA-N
MW401.56 g/mol
LogP0.66
Rot. Bonds6

About N-[2-(4-methylpiperazin-1-yl)ethyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide

N-[2-(4-methylpiperazin-1-yl)ethyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 46297885) has the molecular formula C21H35N7O and a molecular weight of 401.56 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)ethyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)ethyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID46297885
Molecular FormulaC21H35N7O
Molecular Weight401.56 g/mol
Exact Mass401.29
IUPAC NameN-[2-(4-methylpiperazin-1-yl)ethyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCN1CCN(CCNC(=O)C2CCN(c3ccc(N4CCCC4)nn3)CC2)CC1
InChIInChI=1S/C21H35N7O/c1-25-14-16-26(17-15-25)13-8-22-21(29)18-6-11-28(12-7-18)20-5-4-19(23-24-20)27-9-2-3-10-27/h4-5,18H,2-3,6-17H2,1H3,(H,22,29)
InChIKeyHGUQVWSNCDIVLU-UHFFFAOYSA-N
XLogP0.66
TPSA67.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.56
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-piperidin-1-ylpropyl)-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771839
N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 92888526
1-[6-(4-bromophenyl)sulfanylpyridazin-3-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 50768721
1-(6-methylpyridazin-3-yl)-N-propylpiperidine-4-carboxamide
CID 121118861
N-[2-[benzyl(methyl)amino]ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50772057
N-benzyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771931
N-(2-pyrrolidin-1-ylethyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 171473326
N-[3-(N-methylanilino)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771294
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771986
N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 50771431
N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118648
N-(2-morpholin-4-ylethyl)-1-[6-(pyrimidin-4-ylamino)pyridazin-3-yl]piperidine-4-carboxamide
CID 117081263

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide (CID 46297885) is N-[2-(4-methylpiperazin-1-yl)ethyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)ethyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)ethyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide is CN1CCN(CCNC(=O)C2CCN(c3ccc(N4CCCC4)nn3)CC2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)ethyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is HGUQVWSNCDIVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N7O/c1-25-14-16-26(17-15-25)13-8-22-21(29)18-6-11-28(12-7-18)20-5-4-19(23-24-20)27-9-2-3-10-27/h4-5,18H,2-3,6-17H2,1H3,(H,22,29).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)ethyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
N-[2-(4-methylpiperazin-1-yl)ethyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 401.56 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)ethyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 46297885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).