1-(2-methoxyethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-6-oxopyridazine-3-carboxamide

C20H21N3O4 — CID 46691833

IUPAC1-(2-methoxyethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)NCc2ccc3cc(OC)ccc3c2)ccc1=O
InChIInChI=1S/C20H21N3O4/c1-26-10-9-23-19(24)8-7-18(22-23)20(25)21-13-14-3-4-16-12-17(27-2)6-5-15(16)11-14/h3-8,11-12H,9-10,13H2,1-2H3,(H,21,25)
InChIKeyISJBEYWPVBFGDP-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.98
Rot. Bonds7

About 1-(2-methoxyethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-6-oxopyridazine-3-carboxamide

1-(2-methoxyethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-6-oxopyridazine-3-carboxamide (PubChem CID 46691833) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-6-oxopyridazine-3-carboxamide
PubChem CID46691833
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name1-(2-methoxyethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)NCc2ccc3cc(OC)ccc3c2)ccc1=O
InChIInChI=1S/C20H21N3O4/c1-26-10-9-23-19(24)8-7-18(22-23)20(25)21-13-14-3-4-16-12-17(27-2)6-5-15(16)11-14/h3-8,11-12H,9-10,13H2,1-2H3,(H,21,25)
InChIKeyISJBEYWPVBFGDP-UHFFFAOYSA-N
XLogP1.98
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxyethyl)-6-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridazine-3-carboxamide
CID 17396464
1-(2-methoxyethyl)-N'-[2-(4-methoxyphenyl)acetyl]-6-oxopyridazine-3-carbohydrazide
CID 24553901
1-benzyl-N-[(4-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 2635698
N-(3,5-dimethoxyphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 24537228
N-(isoquinolin-1-ylmethyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 71899922
methyl 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoate
CID 47120194
N-[(3-butoxyphenyl)methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 55749505
N-[(2R)-2-hydroxypropyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 83031566
N-(5-hydroxypentyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 107318837
1-(2-methoxyethyl)-6-oxo-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32934057
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 46440883
N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 51143128

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-6-oxopyridazine-3-carboxamide (CID 46691833) is 1-(2-methoxyethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-6-oxopyridazine-3-carboxamide is COCCn1nc(C(=O)NCc2ccc3cc(OC)ccc3c2)ccc1=O.
What is the InChIKey of 1-(2-methoxyethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is ISJBEYWPVBFGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-26-10-9-23-19(24)8-7-18(22-23)20(25)21-13-14-3-4-16-12-17(27-2)6-5-15(16)11-14/h3-8,11-12H,9-10,13H2,1-2H3,(H,21,25).
What are the key properties of 1-(2-methoxyethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-6-oxopyridazine-3-carboxamide?
1-(2-methoxyethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 46691833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).