6-(4-aminopiperidin-1-yl)-4-[(E)-2-(3-methylphenyl)ethenyl]thieno[2,3-b]pyridin-3-amine

C21H24N4S — CID 141077728

IUPAC6-(4-aminopiperidin-1-yl)-4-[(E)-2-(3-methylphenyl)ethenyl]thieno[2,3-b]pyridin-3-amine
SMILESCc1cccc(/C=C/c2cc(N3CCC(N)CC3)nc3scc(N)c23)c1
InChIInChI=1S/C21H24N4S/c1-14-3-2-4-15(11-14)5-6-16-12-19(25-9-7-17(22)8-10-25)24-21-20(16)18(23)13-26-21/h2-6,11-13,17H,7-10,22-23H2,1H3/b6-5+
InChIKeyGOQFYDWTOKDBPT-AATRIKPKSA-N
MW364.52 g/mol
LogP4.28
Rot. Bonds3

About 6-(4-aminopiperidin-1-yl)-4-[(E)-2-(3-methylphenyl)ethenyl]thieno[2,3-b]pyridin-3-amine

6-(4-aminopiperidin-1-yl)-4-[(E)-2-(3-methylphenyl)ethenyl]thieno[2,3-b]pyridin-3-amine (PubChem CID 141077728) has the molecular formula C21H24N4S and a molecular weight of 364.52 g/mol. Its IUPAC name is 6-(4-aminopiperidin-1-yl)-4-[(E)-2-(3-methylphenyl)ethenyl]thieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name6-(4-aminopiperidin-1-yl)-4-[(E)-2-(3-methylphenyl)ethenyl]thieno[2,3-b]pyridin-3-amine
PubChem CID141077728
Molecular FormulaC21H24N4S
Molecular Weight364.52 g/mol
Exact Mass364.17
IUPAC Name6-(4-aminopiperidin-1-yl)-4-[(E)-2-(3-methylphenyl)ethenyl]thieno[2,3-b]pyridin-3-amine
SMILESCc1cccc(/C=C/c2cc(N3CCC(N)CC3)nc3scc(N)c23)c1
InChIInChI=1S/C21H24N4S/c1-14-3-2-4-15(11-14)5-6-16-12-19(25-9-7-17(22)8-10-25)24-21-20(16)18(23)13-26-21/h2-6,11-13,17H,7-10,22-23H2,1H3/b6-5+
InChIKeyGOQFYDWTOKDBPT-AATRIKPKSA-N
XLogP4.28
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(4-aminopiperidin-1-yl)-4-[(E)-2-(3-methylphenyl)ethenyl]thieno[2,3-b]pyridin-3-amine with MolForge

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Related Compounds

6-(4-aminopiperidin-1-yl)-4-[(E)-2-phenylethenyl]thieno[2,3-b]pyridin-3-amine
CID 141077743
3-amino-6-(4-aminopiperidin-1-yl)-4-[(E)-2-(3-methylphenyl)ethenyl]thieno[2,3-b]pyridine-2-carboxylic acid
CID 22278572
3-amino-6-(4-aminopiperidin-1-yl)-4-[(E)-2-(4-methylphenyl)ethenyl]thieno[2,3-b]pyridine-2-carboxylic acid
CID 22278563
3-amino-6-(4-aminopiperidin-1-yl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]thieno[2,3-b]pyridine-2-carboxylic acid
CID 22278581
1-[3-(3-fluoro-5-methylphenyl)-5-[(E)-2-(3-fluorophenyl)ethenyl]-4-pyridinyl]piperidin-4-amine
CID 118057695
1-(2-methyl-1,3-thiazol-4-yl)piperidin-4-amine
CID 130831630
1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 12625550
1-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine
CID 117224089
5-[(E)-2-(3-methylphenyl)ethenyl]-1,3-thiazole
CID 163583215
1-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperidin-4-amine
CID 56767077
4-[2-(3-methylphenyl)ethenyl]aniline
CID 59935146
4-(4-methylphenyl)-2-[(E)-2-(3-methylphenyl)ethenyl]-1,3-thiazole
CID 6036018

Frequently Asked Questions

What is the IUPAC name of 6-(4-aminopiperidin-1-yl)-4-[(E)-2-(3-methylphenyl)ethenyl]thieno[2,3-b]pyridin-3-amine?
The IUPAC name of 6-(4-aminopiperidin-1-yl)-4-[(E)-2-(3-methylphenyl)ethenyl]thieno[2,3-b]pyridin-3-amine (CID 141077728) is 6-(4-aminopiperidin-1-yl)-4-[(E)-2-(3-methylphenyl)ethenyl]thieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 6-(4-aminopiperidin-1-yl)-4-[(E)-2-(3-methylphenyl)ethenyl]thieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 6-(4-aminopiperidin-1-yl)-4-[(E)-2-(3-methylphenyl)ethenyl]thieno[2,3-b]pyridin-3-amine is Cc1cccc(/C=C/c2cc(N3CCC(N)CC3)nc3scc(N)c23)c1.
What is the InChIKey of 6-(4-aminopiperidin-1-yl)-4-[(E)-2-(3-methylphenyl)ethenyl]thieno[2,3-b]pyridin-3-amine?
The InChIKey is GOQFYDWTOKDBPT-AATRIKPKSA-N. The full InChI is InChI=1S/C21H24N4S/c1-14-3-2-4-15(11-14)5-6-16-12-19(25-9-7-17(22)8-10-25)24-21-20(16)18(23)13-26-21/h2-6,11-13,17H,7-10,22-23H2,1H3/b6-5+.
What are the key properties of 6-(4-aminopiperidin-1-yl)-4-[(E)-2-(3-methylphenyl)ethenyl]thieno[2,3-b]pyridin-3-amine?
6-(4-aminopiperidin-1-yl)-4-[(E)-2-(3-methylphenyl)ethenyl]thieno[2,3-b]pyridin-3-amine has a molecular weight of 364.52 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminopiperidin-1-yl)-4-[(E)-2-(3-methylphenyl)ethenyl]thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 141077728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).