N-cyclohexyl-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide

C21H27N5O — CID 121070976

IUPACN-cyclohexyl-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCCCC1)C1CCCN(c2ccc(-c3cccnc3)nn2)C1
InChIInChI=1S/C21H27N5O/c27-21(23-18-8-2-1-3-9-18)17-7-5-13-26(15-17)20-11-10-19(24-25-20)16-6-4-12-22-14-16/h4,6,10-12,14,17-18H,1-3,5,7-9,13,15H2,(H,23,27)
InChIKeyWXPBYIGUMCKSFV-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.20
Rot. Bonds4

About N-cyclohexyl-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide

N-cyclohexyl-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 121070976) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is N-cyclohexyl-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID121070976
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC NameN-cyclohexyl-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCCCC1)C1CCCN(c2ccc(-c3cccnc3)nn2)C1
InChIInChI=1S/C21H27N5O/c27-21(23-18-8-2-1-3-9-18)17-7-5-13-26(15-17)20-11-10-19(24-25-20)16-6-4-12-22-14-16/h4,6,10-12,14,17-18H,1-3,5,7-9,13,15H2,(H,23,27)
InChIKeyWXPBYIGUMCKSFV-UHFFFAOYSA-N
XLogP3.20
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-cyclopentyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055740
N-cyclopentyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53004870
N-(4-acetamidophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071100
N-(pyridin-3-ylmethyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070949
(3S)-N-cyclopropyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055724
N-[(4-methylphenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071012
N-[(2-chlorophenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071054
N-(1,3-benzothiazol-2-yl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071009
N-(2,4-difluorophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070992
N-cyclohexyl-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 30360643
N-cycloheptyl-1-pyridin-4-ylpiperidine-3-carboxamide
CID 46384630
N-cyclopentyl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364801

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide (CID 121070976) is N-cyclohexyl-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide is O=C(NC1CCCCC1)C1CCCN(c2ccc(-c3cccnc3)nn2)C1.
What is the InChIKey of N-cyclohexyl-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is WXPBYIGUMCKSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c27-21(23-18-8-2-1-3-9-18)17-7-5-13-26(15-17)20-11-10-19(24-25-20)16-6-4-12-22-14-16/h4,6,10-12,14,17-18H,1-3,5,7-9,13,15H2,(H,23,27).
What are the key properties of N-cyclohexyl-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide?
N-cyclohexyl-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 121070976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).