3-cyano-N-methyl-N-(6-phenylpyridazin-3-yl)thiophene-2-carboxamide

C17H12N4OS — CID 71969776

IUPAC3-cyano-N-methyl-N-(6-phenylpyridazin-3-yl)thiophene-2-carboxamide
SMILESCN(C(=O)c1sccc1C#N)c1ccc(-c2ccccc2)nn1
InChIInChI=1S/C17H12N4OS/c1-21(17(22)16-13(11-18)9-10-23-16)15-8-7-14(19-20-15)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyDLLZYLMQPKBPBV-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.35
Rot. Bonds3

About 3-cyano-N-methyl-N-(6-phenylpyridazin-3-yl)thiophene-2-carboxamide

3-cyano-N-methyl-N-(6-phenylpyridazin-3-yl)thiophene-2-carboxamide (PubChem CID 71969776) has the molecular formula C17H12N4OS and a molecular weight of 320.38 g/mol. Its IUPAC name is 3-cyano-N-methyl-N-(6-phenylpyridazin-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-cyano-N-methyl-N-(6-phenylpyridazin-3-yl)thiophene-2-carboxamide
PubChem CID71969776
Molecular FormulaC17H12N4OS
Molecular Weight320.38 g/mol
Exact Mass320.07
IUPAC Name3-cyano-N-methyl-N-(6-phenylpyridazin-3-yl)thiophene-2-carboxamide
SMILESCN(C(=O)c1sccc1C#N)c1ccc(-c2ccccc2)nn1
InChIInChI=1S/C17H12N4OS/c1-21(17(22)16-13(11-18)9-10-23-16)15-8-7-14(19-20-15)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyDLLZYLMQPKBPBV-UHFFFAOYSA-N
XLogP3.35
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-methyl-N-(6-phenylpyridazin-3-yl)thiophene-2-carboxamide?
The IUPAC name of 3-cyano-N-methyl-N-(6-phenylpyridazin-3-yl)thiophene-2-carboxamide (CID 71969776) is 3-cyano-N-methyl-N-(6-phenylpyridazin-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-cyano-N-methyl-N-(6-phenylpyridazin-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-cyano-N-methyl-N-(6-phenylpyridazin-3-yl)thiophene-2-carboxamide is CN(C(=O)c1sccc1C#N)c1ccc(-c2ccccc2)nn1.
What is the InChIKey of 3-cyano-N-methyl-N-(6-phenylpyridazin-3-yl)thiophene-2-carboxamide?
The InChIKey is DLLZYLMQPKBPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4OS/c1-21(17(22)16-13(11-18)9-10-23-16)15-8-7-14(19-20-15)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 3-cyano-N-methyl-N-(6-phenylpyridazin-3-yl)thiophene-2-carboxamide?
3-cyano-N-methyl-N-(6-phenylpyridazin-3-yl)thiophene-2-carboxamide has a molecular weight of 320.38 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-methyl-N-(6-phenylpyridazin-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 71969776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).