N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

C20H29N3O4 — CID 47014241

IUPACN-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCCOc1ccc(C(NC(=O)C2=NN(C)C(=O)CC2)C(C)C)cc1OCC
InChIInChI=1S/C20H29N3O4/c1-6-26-16-10-8-14(12-17(16)27-7-2)19(13(3)4)21-20(25)15-9-11-18(24)23(5)22-15/h8,10,12-13,19H,6-7,9,11H2,1-5H3,(H,21,25)
InChIKeyJSMOCJCZHXCKRH-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.91
Rot. Bonds8

About N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 47014241) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID47014241
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC NameN-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCCOc1ccc(C(NC(=O)C2=NN(C)C(=O)CC2)C(C)C)cc1OCC
InChIInChI=1S/C20H29N3O4/c1-6-26-16-10-8-14(12-17(16)27-7-2)19(13(3)4)21-20(25)15-9-11-18(24)23(5)22-15/h8,10,12-13,19H,6-7,9,11H2,1-5H3,(H,21,25)
InChIKeyJSMOCJCZHXCKRH-UHFFFAOYSA-N
XLogP2.91
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(3,4-diethoxyphenyl)-2-methylpropyl]-4-oxo-3-propylphthalazine-1-carboxamide
CID 25444421
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]furan-2-carboxamide
CID 51262699
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylbenzamide
CID 46649898
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 51262709
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 60551019
2-amino-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]pentanamide
CID 119274983
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 46649908
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 134036644
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 112834754
4-(cyclopropylsulfamoyl)-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]benzamide
CID 46649958
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119696392
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylpent-2-enamide
CID 75896022

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 47014241) is N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CCOc1ccc(C(NC(=O)C2=NN(C)C(=O)CC2)C(C)C)cc1OCC.
What is the InChIKey of N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is JSMOCJCZHXCKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-6-26-16-10-8-14(12-17(16)27-7-2)19(13(3)4)21-20(25)15-9-11-18(24)23(5)22-15/h8,10,12-13,19H,6-7,9,11H2,1-5H3,(H,21,25).
What are the key properties of N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 47014241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).