1-[2-(diethylamino)ethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide

C18H24N4O3 — CID 41247965

IUPAC1-[2-(diethylamino)ethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide
SMILESCCN(CC)CCn1nc(C(=O)Nc2ccc(OC)cc2)ccc1=O
InChIInChI=1S/C18H24N4O3/c1-4-21(5-2)12-13-22-17(23)11-10-16(20-22)18(24)19-14-6-8-15(25-3)9-7-14/h6-11H,4-5,12-13H2,1-3H3,(H,19,24)
InChIKeyZVSHPERQXHRDLC-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.85
Rot. Bonds8

About 1-[2-(diethylamino)ethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide

1-[2-(diethylamino)ethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 41247965) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide
PubChem CID41247965
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name1-[2-(diethylamino)ethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide
SMILESCCN(CC)CCn1nc(C(=O)Nc2ccc(OC)cc2)ccc1=O
InChIInChI=1S/C18H24N4O3/c1-4-21(5-2)12-13-22-17(23)11-10-16(20-22)18(24)19-14-6-8-15(25-3)9-7-14/h6-11H,4-5,12-13H2,1-3H3,(H,19,24)
InChIKeyZVSHPERQXHRDLC-UHFFFAOYSA-N
XLogP1.85
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 41247979
N-(3,5-dimethoxyphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 24537228
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide
CID 18112340
1-(2-methoxyethyl)-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 33238572
N-(4-methoxyphenyl)-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridazine-3-carboxamide
CID 41247941
N-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 41247957
N-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 36676962
N-(6-methoxy-3-pyridinyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 18107814
1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 41247883
1-(2-methoxyethyl)-N-(4-methylsulfanylphenyl)-6-oxopyridazine-3-carboxamide
CID 31796636
1-(2-methoxyethyl)-6-oxo-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 35019256
1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 27443516

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-[2-(diethylamino)ethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide (CID 41247965) is 1-[2-(diethylamino)ethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide is CCN(CC)CCn1nc(C(=O)Nc2ccc(OC)cc2)ccc1=O.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is ZVSHPERQXHRDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-4-21(5-2)12-13-22-17(23)11-10-16(20-22)18(24)19-14-6-8-15(25-3)9-7-14/h6-11H,4-5,12-13H2,1-3H3,(H,19,24).
What are the key properties of 1-[2-(diethylamino)ethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide?
1-[2-(diethylamino)ethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 41247965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).