N-[1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]cyclohexanecarboxamide

C20H28N6O — CID 133291492

IUPACN-[1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]cyclohexanecarboxamide
SMILESCc1ccn(-c2ccc(N3CCC(NC(=O)C4CCCCC4)CC3)nn2)n1
InChIInChI=1S/C20H28N6O/c1-15-9-14-26(24-15)19-8-7-18(22-23-19)25-12-10-17(11-13-25)21-20(27)16-5-3-2-4-6-16/h7-9,14,16-17H,2-6,10-13H2,1H3,(H,21,27)
InChIKeyLZBHRBGQDOUQIT-UHFFFAOYSA-N
MW368.49 g/mol
LogP2.64
Rot. Bonds4

About N-[1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]cyclohexanecarboxamide

N-[1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]cyclohexanecarboxamide (PubChem CID 133291492) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is N-[1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]cyclohexanecarboxamide
PubChem CID133291492
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC NameN-[1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]cyclohexanecarboxamide
SMILESCc1ccn(-c2ccc(N3CCC(NC(=O)C4CCCCC4)CC3)nn2)n1
InChIInChI=1S/C20H28N6O/c1-15-9-14-26(24-15)19-8-7-18(22-23-19)25-12-10-17(11-13-25)21-20(27)16-5-3-2-4-6-16/h7-9,14,16-17H,2-6,10-13H2,1H3,(H,21,27)
InChIKeyLZBHRBGQDOUQIT-UHFFFAOYSA-N
XLogP2.64
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

cyclohexyl-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]piperidin-1-yl]methanone
CID 133291151
N-cyclopropyl-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 56764773
N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]cyclohexanecarboxamide
CID 146126539
N-cyclohexyl-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363619
3-(3-methylpyrazol-1-yl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazine
CID 133317757
N-cyclohexyl-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 30360643
N-(1-quinolin-2-ylpiperidin-4-yl)cyclohexanecarboxamide
CID 133276967
(3R)-N-cyclopropyl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52907655
N-cycloheptyl-1-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 46326780
N-cyclopentyl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364801
N-cyclopentyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53004870
(3S)-N-cyclopentyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055740

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]cyclohexanecarboxamide (CID 133291492) is N-[1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]cyclohexanecarboxamide is Cc1ccn(-c2ccc(N3CCC(NC(=O)C4CCCCC4)CC3)nn2)n1.
What is the InChIKey of N-[1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]cyclohexanecarboxamide?
The InChIKey is LZBHRBGQDOUQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-15-9-14-26(24-15)19-8-7-18(22-23-19)25-12-10-17(11-13-25)21-20(27)16-5-3-2-4-6-16/h7-9,14,16-17H,2-6,10-13H2,1H3,(H,21,27).
What are the key properties of N-[1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]cyclohexanecarboxamide?
N-[1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]cyclohexanecarboxamide has a molecular weight of 368.49 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 133291492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).