N-[4-(4-cyano-5,6-diethylpyridazin-3-yl)oxyphenyl]thiophene-3-carboxamide

C20H18N4O2S — CID 133378964

IUPACN-[4-(4-cyano-5,6-diethylpyridazin-3-yl)oxyphenyl]thiophene-3-carboxamide
SMILESCCc1nnc(Oc2ccc(NC(=O)c3ccsc3)cc2)c(C#N)c1CC
InChIInChI=1S/C20H18N4O2S/c1-3-16-17(11-21)20(24-23-18(16)4-2)26-15-7-5-14(6-8-15)22-19(25)13-9-10-27-12-13/h5-10,12H,3-4H2,1-2H3,(H,22,25)
InChIKeyNEXXGXQNTISWOO-UHFFFAOYSA-N
MW378.46 g/mol
LogP4.58
Rot. Bonds6

About N-[4-(4-cyano-5,6-diethylpyridazin-3-yl)oxyphenyl]thiophene-3-carboxamide

N-[4-(4-cyano-5,6-diethylpyridazin-3-yl)oxyphenyl]thiophene-3-carboxamide (PubChem CID 133378964) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is N-[4-(4-cyano-5,6-diethylpyridazin-3-yl)oxyphenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-cyano-5,6-diethylpyridazin-3-yl)oxyphenyl]thiophene-3-carboxamide
PubChem CID133378964
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC NameN-[4-(4-cyano-5,6-diethylpyridazin-3-yl)oxyphenyl]thiophene-3-carboxamide
SMILESCCc1nnc(Oc2ccc(NC(=O)c3ccsc3)cc2)c(C#N)c1CC
InChIInChI=1S/C20H18N4O2S/c1-3-16-17(11-21)20(24-23-18(16)4-2)26-15-7-5-14(6-8-15)22-19(25)13-9-10-27-12-13/h5-10,12H,3-4H2,1-2H3,(H,22,25)
InChIKeyNEXXGXQNTISWOO-UHFFFAOYSA-N
XLogP4.58
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyano-5,6-diethylpyridazin-3-yl)oxyphenyl]thiophene-3-carboxamide?
The IUPAC name of N-[4-(4-cyano-5,6-diethylpyridazin-3-yl)oxyphenyl]thiophene-3-carboxamide (CID 133378964) is N-[4-(4-cyano-5,6-diethylpyridazin-3-yl)oxyphenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-(4-cyano-5,6-diethylpyridazin-3-yl)oxyphenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-(4-cyano-5,6-diethylpyridazin-3-yl)oxyphenyl]thiophene-3-carboxamide is CCc1nnc(Oc2ccc(NC(=O)c3ccsc3)cc2)c(C#N)c1CC.
What is the InChIKey of N-[4-(4-cyano-5,6-diethylpyridazin-3-yl)oxyphenyl]thiophene-3-carboxamide?
The InChIKey is NEXXGXQNTISWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-3-16-17(11-21)20(24-23-18(16)4-2)26-15-7-5-14(6-8-15)22-19(25)13-9-10-27-12-13/h5-10,12H,3-4H2,1-2H3,(H,22,25).
What are the key properties of N-[4-(4-cyano-5,6-diethylpyridazin-3-yl)oxyphenyl]thiophene-3-carboxamide?
N-[4-(4-cyano-5,6-diethylpyridazin-3-yl)oxyphenyl]thiophene-3-carboxamide has a molecular weight of 378.46 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyano-5,6-diethylpyridazin-3-yl)oxyphenyl]thiophene-3-carboxamide is sourced from PubChem (CID 133378964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).