4-(furan-3-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide

C20H17N3O2S — CID 71053417

IUPAC4-(furan-3-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide
SMILESCNC(=O)c1nnc(Cc2ccoc2)c2cc(-c3ccc(C)cc3)sc12
InChIInChI=1S/C20H17N3O2S/c1-12-3-5-14(6-4-12)17-10-15-16(9-13-7-8-25-11-13)22-23-18(19(15)26-17)20(24)21-2/h3-8,10-11H,9H2,1-2H3,(H,21,24)
InChIKeyBIUYNIDHNWMBTM-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.21
Rot. Bonds4

About 4-(furan-3-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide

4-(furan-3-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide (PubChem CID 71053417) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 4-(furan-3-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide.

Molecular Properties

Compound Name4-(furan-3-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide
PubChem CID71053417
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name4-(furan-3-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide
SMILESCNC(=O)c1nnc(Cc2ccoc2)c2cc(-c3ccc(C)cc3)sc12
InChIInChI=1S/C20H17N3O2S/c1-12-3-5-14(6-4-12)17-10-15-16(9-13-7-8-25-11-13)22-23-18(19(15)26-17)20(24)21-2/h3-8,10-11H,9H2,1-2H3,(H,21,24)
InChIKeyBIUYNIDHNWMBTM-UHFFFAOYSA-N
XLogP4.21
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide?
The IUPAC name of 4-(furan-3-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide (CID 71053417) is 4-(furan-3-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide.
What is the SMILES notation for 4-(furan-3-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide?
The canonical SMILES for 4-(furan-3-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide is CNC(=O)c1nnc(Cc2ccoc2)c2cc(-c3ccc(C)cc3)sc12.
What is the InChIKey of 4-(furan-3-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide?
The InChIKey is BIUYNIDHNWMBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-12-3-5-14(6-4-12)17-10-15-16(9-13-7-8-25-11-13)22-23-18(19(15)26-17)20(24)21-2/h3-8,10-11H,9H2,1-2H3,(H,21,24).
What are the key properties of 4-(furan-3-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide?
4-(furan-3-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide is sourced from PubChem (CID 71053417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).