N-(3,5-dimethoxyphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide

C16H19N3O5 — CID 24537228

IUPACN-(3,5-dimethoxyphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)Nc2cc(OC)cc(OC)c2)ccc1=O
InChIInChI=1S/C16H19N3O5/c1-22-7-6-19-15(20)5-4-14(18-19)16(21)17-11-8-12(23-2)10-13(9-11)24-3/h4-5,8-10H,6-7H2,1-3H3,(H,17,21)
InChIKeyFTHUEWQNNNHCJC-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.16
Rot. Bonds7

About N-(3,5-dimethoxyphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide

N-(3,5-dimethoxyphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (PubChem CID 24537228) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
PubChem CID24537228
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC NameN-(3,5-dimethoxyphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)Nc2cc(OC)cc(OC)c2)ccc1=O
InChIInChI=1S/C16H19N3O5/c1-22-7-6-19-15(20)5-4-14(18-19)16(21)17-11-8-12(23-2)10-13(9-11)24-3/h4-5,8-10H,6-7H2,1-3H3,(H,17,21)
InChIKeyFTHUEWQNNNHCJC-UHFFFAOYSA-N
XLogP1.16
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 36676962
1-(2-methoxyethyl)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide
CID 55429869
1-(2-methoxyethyl)-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 33238572
1-(2-methoxyethyl)-6-oxo-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 35019256
1-(2-methoxyethyl)-N-(4-methylsulfanylphenyl)-6-oxopyridazine-3-carboxamide
CID 31796636
1-(2-methoxyethyl)-N'-[2-(4-methoxyphenyl)acetyl]-6-oxopyridazine-3-carbohydrazide
CID 24553901
1-[2-(diethylamino)ethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 41247965
1-(2-methoxyethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-6-oxopyridazine-3-carboxamide
CID 46691833
1-(2-methoxyethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-6-oxopyridazine-3-carboxamide
CID 83090099
N'-(3-chlorobenzoyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carbohydrazide
CID 37349424
1-(2-methoxyethyl)-6-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridazine-3-carboxamide
CID 46410564
3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-4-methylbenzoic acid
CID 119219316

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (CID 24537228) is N-(3,5-dimethoxyphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is COCCn1nc(C(=O)Nc2cc(OC)cc(OC)c2)ccc1=O.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is FTHUEWQNNNHCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-22-7-6-19-15(20)5-4-14(18-19)16(21)17-11-8-12(23-2)10-13(9-11)24-3/h4-5,8-10H,6-7H2,1-3H3,(H,17,21).
What are the key properties of N-(3,5-dimethoxyphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
N-(3,5-dimethoxyphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 333.34 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 24537228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).