N-ethyl-N-(2-ethylbutyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

C21H29N3O3 — CID 55688997

IUPACN-ethyl-N-(2-ethylbutyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESCCC(CC)CN(CC)C(=O)c1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C21H29N3O3/c1-4-17(5-2)16-23(6-3)21(26)19-12-13-20(25)24(22-19)14-15-27-18-10-8-7-9-11-18/h7-13,17H,4-6,14-16H2,1-3H3
InChIKeyWOOIADGCECQZHR-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.22
Rot. Bonds10

About N-ethyl-N-(2-ethylbutyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

N-ethyl-N-(2-ethylbutyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (PubChem CID 55688997) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-ethyl-N-(2-ethylbutyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-ethylbutyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
PubChem CID55688997
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-ethyl-N-(2-ethylbutyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESCCC(CC)CN(CC)C(=O)c1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C21H29N3O3/c1-4-17(5-2)16-23(6-3)21(26)19-12-13-20(25)24(22-19)14-15-27-18-10-8-7-9-11-18/h7-13,17H,4-6,14-16H2,1-3H3
InChIKeyWOOIADGCECQZHR-UHFFFAOYSA-N
XLogP3.22
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-hydroxyethyl)-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
CID 24992194
2-methyl-6-[4-[(2R)-2-methyl-3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
CID 24995678
6-hydroxy-N-(((1s,4s)-4-(2-phenoxyethyl)cyclohexyl)methyl)pyridazine-3-carboxamide
CID 44442107
2-ethyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
CID 53363717
6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-propan-2-ylpyridazin-3-one
CID 53363718
2-Methyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one
CID 53363721
2-methyl-6-[4-[(2S)-2-methyl-3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
CID 56677285
3(2H)-Pyridazinone, 6-(m-methoxyphenyl)-4-methyl-2-(2-morpholinoethyl)-, hydrochloride
CID 202785
ethyl 2-[3-(4-methoxystyryl)-6-oxo-1(6H)-pyridazinyl]propanoate
CID 5707549
1,6-Dihydro-6-oxo-1-(2-phenoxyethyl)-3-pyridazinecarboxylic acid
CID 7131845
6-hydroxy-N-(((1s,4s)-4-(phenoxymethyl)cyclohexyl)methyl)pyridazine-3-carboxamide
CID 44442105
ethyl 2-[3-(4-methoxystyryl)-6-oxo-1(6H)-pyridazinyl]acetate
CID 5707548

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-ethylbutyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The IUPAC name of N-ethyl-N-(2-ethylbutyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (CID 55688997) is N-ethyl-N-(2-ethylbutyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-ethylbutyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The canonical SMILES for N-ethyl-N-(2-ethylbutyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is CCC(CC)CN(CC)C(=O)c1ccc(=O)n(CCOc2ccccc2)n1.
What is the InChIKey of N-ethyl-N-(2-ethylbutyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The InChIKey is WOOIADGCECQZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-4-17(5-2)16-23(6-3)21(26)19-12-13-20(25)24(22-19)14-15-27-18-10-8-7-9-11-18/h7-13,17H,4-6,14-16H2,1-3H3.
What are the key properties of N-ethyl-N-(2-ethylbutyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
N-ethyl-N-(2-ethylbutyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 3.22, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-ethylbutyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 55688997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).