6-oxo-1-(2-phenoxyethyl)-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide

C18H17N3O3S — CID 32983278

IUPAC6-oxo-1-(2-phenoxyethyl)-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
SMILESO=C(NCc1cccs1)c1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C18H17N3O3S/c22-17-9-8-16(18(23)19-13-15-7-4-12-25-15)20-21(17)10-11-24-14-5-2-1-3-6-14/h1-9,12H,10-11,13H2,(H,19,23)
InChIKeyRMGHKQRZJDJEKV-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.31
Rot. Bonds7

About 6-oxo-1-(2-phenoxyethyl)-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide

6-oxo-1-(2-phenoxyethyl)-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide (PubChem CID 32983278) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 6-oxo-1-(2-phenoxyethyl)-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-(2-phenoxyethyl)-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
PubChem CID32983278
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name6-oxo-1-(2-phenoxyethyl)-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
SMILESO=C(NCc1cccs1)c1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C18H17N3O3S/c22-17-9-8-16(18(23)19-13-15-7-4-12-25-15)20-21(17)10-11-24-14-5-2-1-3-6-14/h1-9,12H,10-11,13H2,(H,19,23)
InChIKeyRMGHKQRZJDJEKV-UHFFFAOYSA-N
XLogP2.31
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-butyl-6-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
CID 42161969
1-(2-methoxyethyl)-6-oxo-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32934057
N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 35811130
N-[(2-methoxy-3-pyridinyl)methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 38535069
6-oxo-1-(2-phenoxyethyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
CID 24548186
N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 24525130
6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid
CID 7131845
6-oxo-1-(2-phenoxyethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide
CID 17490743
N-[(3-butoxyphenyl)methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 55749505
N-nonyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 46549927
N-tert-butyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 30780750
6-oxo-1-(2-phenoxyethyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridazine-3-carboxamide
CID 55712129

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-(2-phenoxyethyl)-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-1-(2-phenoxyethyl)-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide (CID 32983278) is 6-oxo-1-(2-phenoxyethyl)-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-(2-phenoxyethyl)-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-1-(2-phenoxyethyl)-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide is O=C(NCc1cccs1)c1ccc(=O)n(CCOc2ccccc2)n1.
What is the InChIKey of 6-oxo-1-(2-phenoxyethyl)-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is RMGHKQRZJDJEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c22-17-9-8-16(18(23)19-13-15-7-4-12-25-15)20-21(17)10-11-24-14-5-2-1-3-6-14/h1-9,12H,10-11,13H2,(H,19,23).
What are the key properties of 6-oxo-1-(2-phenoxyethyl)-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide?
6-oxo-1-(2-phenoxyethyl)-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-(2-phenoxyethyl)-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 32983278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).