6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide

C20H25N5O3 — CID 109122662

IUPAC6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1ccc(N2CCC3(CC2)OCCO3)nn1
InChIInChI=1S/C20H25N5O3/c1-24(11-6-16-4-9-21-10-5-16)19(26)17-2-3-18(23-22-17)25-12-7-20(8-13-25)27-14-15-28-20/h2-5,9-10H,6-8,11-15H2,1H3
InChIKeyLGUQHUKNKXVRJW-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.53
Rot. Bonds5

About 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide

6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide (PubChem CID 109122662) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
PubChem CID109122662
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1ccc(N2CCC3(CC2)OCCO3)nn1
InChIInChI=1S/C20H25N5O3/c1-24(11-6-16-4-9-21-10-5-16)19(26)17-2-3-18(23-22-17)25-12-7-20(8-13-25)27-14-15-28-20/h2-5,9-10H,6-8,11-15H2,1H3
InChIKeyLGUQHUKNKXVRJW-UHFFFAOYSA-N
XLogP1.53
TPSA80.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
CID 109122738
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 109123501
[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-3-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109116657
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118140
N-methyl-6-(propan-2-ylamino)-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
CID 109109444
N-methyl-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide
CID 110689492
N-methyl-5-(morpholin-4-ylmethyl)-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 56758608
3-[methyl(2-pyridin-4-ylethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369258
N-butyl-N-methyl-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116180
N-[2-(cyclohexen-1-yl)ethyl]-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide
CID 109113646
6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxylic acid
CID 54944199
N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 110699109

Frequently Asked Questions

What is the IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide (CID 109122662) is 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide is CN(CCc1ccncc1)C(=O)c1ccc(N2CCC3(CC2)OCCO3)nn1.
What is the InChIKey of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide?
The InChIKey is LGUQHUKNKXVRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-24(11-6-16-4-9-21-10-5-16)19(26)17-2-3-18(23-22-17)25-12-7-20(8-13-25)27-14-15-28-20/h2-5,9-10H,6-8,11-15H2,1H3.
What are the key properties of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide?
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109122662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).