N-[6-(1-phenylethylamino)pyridazin-3-yl]thiophene-2-carboxamide

C17H16N4OS — CID 113041166

IUPACN-[6-(1-phenylethylamino)pyridazin-3-yl]thiophene-2-carboxamide
SMILESCC(Nc1ccc(NC(=O)c2cccs2)nn1)c1ccccc1
InChIInChI=1S/C17H16N4OS/c1-12(13-6-3-2-4-7-13)18-15-9-10-16(21-20-15)19-17(22)14-8-5-11-23-14/h2-12H,1H3,(H,18,20)(H,19,21,22)
InChIKeyJXIPHZRBUOQLIH-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.96
Rot. Bonds5

About N-[6-(1-phenylethylamino)pyridazin-3-yl]thiophene-2-carboxamide

N-[6-(1-phenylethylamino)pyridazin-3-yl]thiophene-2-carboxamide (PubChem CID 113041166) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is N-[6-(1-phenylethylamino)pyridazin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-(1-phenylethylamino)pyridazin-3-yl]thiophene-2-carboxamide
PubChem CID113041166
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC NameN-[6-(1-phenylethylamino)pyridazin-3-yl]thiophene-2-carboxamide
SMILESCC(Nc1ccc(NC(=O)c2cccs2)nn1)c1ccccc1
InChIInChI=1S/C17H16N4OS/c1-12(13-6-3-2-4-7-13)18-15-9-10-16(21-20-15)19-17(22)14-8-5-11-23-14/h2-12H,1H3,(H,18,20)(H,19,21,22)
InChIKeyJXIPHZRBUOQLIH-UHFFFAOYSA-N
XLogP3.96
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]propanamide
CID 113041157
2-phenyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide
CID 113041186
N-[6-(1-phenylethylamino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113041198
4-methoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide
CID 113041179
3,5-dimethoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide
CID 113041180
N-[6-(1-phenylethylamino)pyridazin-3-yl]pentanamide
CID 113041159
N-[6-(3,5-dimethylanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113046423
N-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 4935194
N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]thiophene-2-carboxamide
CID 113043097
N-[6-(3,5-dichloroanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113050851
N-[6-(4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113047251
N-[6-(dipropylamino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113045135

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-phenylethylamino)pyridazin-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[6-(1-phenylethylamino)pyridazin-3-yl]thiophene-2-carboxamide (CID 113041166) is N-[6-(1-phenylethylamino)pyridazin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[6-(1-phenylethylamino)pyridazin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[6-(1-phenylethylamino)pyridazin-3-yl]thiophene-2-carboxamide is CC(Nc1ccc(NC(=O)c2cccs2)nn1)c1ccccc1.
What is the InChIKey of N-[6-(1-phenylethylamino)pyridazin-3-yl]thiophene-2-carboxamide?
The InChIKey is JXIPHZRBUOQLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-12(13-6-3-2-4-7-13)18-15-9-10-16(21-20-15)19-17(22)14-8-5-11-23-14/h2-12H,1H3,(H,18,20)(H,19,21,22).
What are the key properties of N-[6-(1-phenylethylamino)pyridazin-3-yl]thiophene-2-carboxamide?
N-[6-(1-phenylethylamino)pyridazin-3-yl]thiophene-2-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-phenylethylamino)pyridazin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 113041166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).