1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

C22H30N6O — CID 50771156

IUPAC1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCC1CCN(c2ccc(N3CCC(C(=O)NCc4ccccn4)CC3)nn2)CC1
InChIInChI=1S/C22H30N6O/c1-17-7-12-27(13-8-17)20-5-6-21(26-25-20)28-14-9-18(10-15-28)22(29)24-16-19-4-2-3-11-23-19/h2-6,11,17-18H,7-10,12-16H2,1H3,(H,24,29)
InChIKeyADQZDGDPUVIWDS-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.64
Rot. Bonds5

About 1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 50771156) has the molecular formula C22H30N6O and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID50771156
Molecular FormulaC22H30N6O
Molecular Weight394.52 g/mol
Exact Mass394.25
IUPAC Name1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCC1CCN(c2ccc(N3CCC(C(=O)NCc4ccccn4)CC3)nn2)CC1
InChIInChI=1S/C22H30N6O/c1-17-7-12-27(13-8-17)20-5-6-21(26-25-20)28-14-9-18(10-15-28)22(29)24-16-19-4-2-3-11-23-19/h2-6,11,17-18H,7-10,12-16H2,1H3,(H,24,29)
InChIKeyADQZDGDPUVIWDS-UHFFFAOYSA-N
XLogP2.64
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-(furan-2-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 30364305
6-(azepan-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120839
N-benzyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771931
1-[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 50783145
(3R)-1-(6-pyrazol-1-ylpyridazin-3-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 52907602
1-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 90609314
1-(1-cyclohexylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 26411415
4-N-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109144683
1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 118781434
1-N-cyclohexyl-4-N-(pyridin-2-ylmethyl)piperidine-1,4-dicarboxamide
CID 113004461
6-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109116486
N-(pyridin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 56832240

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 50771156) is 1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is CC1CCN(c2ccc(N3CCC(C(=O)NCc4ccccn4)CC3)nn2)CC1.
What is the InChIKey of 1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is ADQZDGDPUVIWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O/c1-17-7-12-27(13-8-17)20-5-6-21(26-25-20)28-14-9-18(10-15-28)22(29)24-16-19-4-2-3-11-23-19/h2-6,11,17-18H,7-10,12-16H2,1H3,(H,24,29).
What are the key properties of 1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 50771156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).