N-benzyl-5-phenyl-3-thiophen-3-ylpyridin-2-amine

C22H18N2S — CID 101498646

IUPACN-benzyl-5-phenyl-3-thiophen-3-ylpyridin-2-amine
SMILESc1ccc(CNc2ncc(-c3ccccc3)cc2-c2ccsc2)cc1
InChIInChI=1S/C22H18N2S/c1-3-7-17(8-4-1)14-23-22-21(19-11-12-25-16-19)13-20(15-24-22)18-9-5-2-6-10-18/h1-13,15-16H,14H2,(H,23,24)
InChIKeyOHNOCZOKNKHGPE-UHFFFAOYSA-N
MW342.47 g/mol
LogP6.09
Rot. Bonds5

About N-benzyl-5-phenyl-3-thiophen-3-ylpyridin-2-amine

N-benzyl-5-phenyl-3-thiophen-3-ylpyridin-2-amine (PubChem CID 101498646) has the molecular formula C22H18N2S and a molecular weight of 342.47 g/mol. Its IUPAC name is N-benzyl-5-phenyl-3-thiophen-3-ylpyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-5-phenyl-3-thiophen-3-ylpyridin-2-amine
PubChem CID101498646
Molecular FormulaC22H18N2S
Molecular Weight342.47 g/mol
Exact Mass342.12
IUPAC NameN-benzyl-5-phenyl-3-thiophen-3-ylpyridin-2-amine
SMILESc1ccc(CNc2ncc(-c3ccccc3)cc2-c2ccsc2)cc1
InChIInChI=1S/C22H18N2S/c1-3-7-17(8-4-1)14-23-22-21(19-11-12-25-16-19)13-20(15-24-22)18-9-5-2-6-10-18/h1-13,15-16H,14H2,(H,23,24)
InChIKeyOHNOCZOKNKHGPE-UHFFFAOYSA-N
XLogP6.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.47
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3,5-di(thiophen-2-yl)-3H-pyrido[2,3-e][1,4]diazepin-2-amine
CID 135425186
Dimethyl-[2-[pyridin-2-yl(thiophen-3-ylmethyl)amino]ethyl]azanium;chloride
CID 13734
2-(2-Thenylamino)pyridine
CID 67323
1-Pyridin-2-yl-4-(4-thiophen-2-yl-cyclohex-3-enyl)-piperazine
CID 15079634
1-Pyridin-2-yl-4-[2-(4-thiophen-2-yl-cyclohex-3-enyl)-ethyl]-piperazine
CID 15079637
Benzyl-[4-(2-ethyl-4-m-tolyl-thiazol-5-yl)-pyridin-2-yl]-amine
CID 10134696
N-[4-[2-Ethyl-4-(3-methylphenyl)-1,3-thiazol-5-YL]-2-pyridyl]-N-(2-phenylethyl)amine
CID 10200958
[4-(2-Ethyl-4-m-tolyl-thiazol-5-yl)-pyridin-2-yl]-(3-phenyl-propyl)-amine
CID 10295242
1-(4-(4-Aminothieno[3,2-c]pyridin-3-yl)phenyl)-3-cyclohexylurea
CID 18451385
1-(4-(4-Aminothieno[3,2-c]pyridin-3-yl)phenyl)-3-phenylurea
CID 18451389
5-methyl-2-(2-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 60167909
5-(3-phenyl-4-pyridinyl)-N-propyl-1,3-thiazol-2-amine
CID 117918945

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-phenyl-3-thiophen-3-ylpyridin-2-amine?
The IUPAC name of N-benzyl-5-phenyl-3-thiophen-3-ylpyridin-2-amine (CID 101498646) is N-benzyl-5-phenyl-3-thiophen-3-ylpyridin-2-amine.
What is the SMILES notation for N-benzyl-5-phenyl-3-thiophen-3-ylpyridin-2-amine?
The canonical SMILES for N-benzyl-5-phenyl-3-thiophen-3-ylpyridin-2-amine is c1ccc(CNc2ncc(-c3ccccc3)cc2-c2ccsc2)cc1.
What is the InChIKey of N-benzyl-5-phenyl-3-thiophen-3-ylpyridin-2-amine?
The InChIKey is OHNOCZOKNKHGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2S/c1-3-7-17(8-4-1)14-23-22-21(19-11-12-25-16-19)13-20(15-24-22)18-9-5-2-6-10-18/h1-13,15-16H,14H2,(H,23,24).
What are the key properties of N-benzyl-5-phenyl-3-thiophen-3-ylpyridin-2-amine?
N-benzyl-5-phenyl-3-thiophen-3-ylpyridin-2-amine has a molecular weight of 342.47 g/mol, XLogP of 6.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-phenyl-3-thiophen-3-ylpyridin-2-amine is sourced from PubChem (CID 101498646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).