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

C17H21N3O4 — CID 60565821

IUPACN-[(2-ethoxyphenyl)methyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1ccc(=O)n(CCOC)n1
InChIInChI=1S/C17H21N3O4/c1-3-24-15-7-5-4-6-13(15)12-18-17(22)14-8-9-16(21)20(19-14)10-11-23-2/h4-9H,3,10-12H2,1-2H3,(H,18,22)
InChIKeyDIPLDNXYKBSIIP-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.22
Rot. Bonds8

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

N-[(2-ethoxyphenyl)methyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (PubChem CID 60565821) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
PubChem CID60565821
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-[(2-ethoxyphenyl)methyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1ccc(=O)n(CCOC)n1
InChIInChI=1S/C17H21N3O4/c1-3-24-15-7-5-4-6-13(15)12-18-17(22)14-8-9-16(21)20(19-14)10-11-23-2/h4-9H,3,10-12H2,1-2H3,(H,18,22)
InChIKeyDIPLDNXYKBSIIP-UHFFFAOYSA-N
XLogP1.22
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-1-(2-methoxyethyl)-N-methyl-6-oxopyridazine-3-carboxamide
CID 55957270
N-(isoquinolin-1-ylmethyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 71899922
1-(2-methoxyethyl)-6-oxo-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32934057
N-[2-(4-ethoxyphenoxy)phenyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 46636276
6-oxo-1-(2-phenoxyethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide
CID 17490743
N-[(2-methoxy-3-pyridinyl)methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 38535069
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 24516176
1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 27376568
N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 35811130
methyl 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoate
CID 47120194
N-(2-ethyl-2-hydroxybutyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 65112591
1-(2-methoxyethyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-oxopyridazine-3-carboxamide
CID 30522946

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (CID 60565821) is N-[(2-ethoxyphenyl)methyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is CCOc1ccccc1CNC(=O)c1ccc(=O)n(CCOC)n1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is DIPLDNXYKBSIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-3-24-15-7-5-4-6-13(15)12-18-17(22)14-8-9-16(21)20(19-14)10-11-23-2/h4-9H,3,10-12H2,1-2H3,(H,18,22).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
N-[(2-ethoxyphenyl)methyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 1.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 60565821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).