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

C20H22N4S — CID 141077743

IUPAC6-(4-aminopiperidin-1-yl)-4-[(E)-2-phenylethenyl]thieno[2,3-b]pyridin-3-amine
SMILESNc1csc2nc(N3CCC(N)CC3)cc(/C=C/c3ccccc3)c12
InChIInChI=1S/C20H22N4S/c21-16-8-10-24(11-9-16)18-12-15(7-6-14-4-2-1-3-5-14)19-17(22)13-25-20(19)23-18/h1-7,12-13,16H,8-11,21-22H2/b7-6+
InChIKeyDCKDYUKBZHJDMX-VOTSOKGWSA-N
MW350.49 g/mol
LogP3.98
Rot. Bonds3

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

6-(4-aminopiperidin-1-yl)-4-[(E)-2-phenylethenyl]thieno[2,3-b]pyridin-3-amine (PubChem CID 141077743) has the molecular formula C20H22N4S and a molecular weight of 350.49 g/mol. Its IUPAC name is 6-(4-aminopiperidin-1-yl)-4-[(E)-2-phenylethenyl]thieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name6-(4-aminopiperidin-1-yl)-4-[(E)-2-phenylethenyl]thieno[2,3-b]pyridin-3-amine
PubChem CID141077743
Molecular FormulaC20H22N4S
Molecular Weight350.49 g/mol
Exact Mass350.16
IUPAC Name6-(4-aminopiperidin-1-yl)-4-[(E)-2-phenylethenyl]thieno[2,3-b]pyridin-3-amine
SMILESNc1csc2nc(N3CCC(N)CC3)cc(/C=C/c3ccccc3)c12
InChIInChI=1S/C20H22N4S/c21-16-8-10-24(11-9-16)18-12-15(7-6-14-4-2-1-3-5-14)19-17(22)13-25-20(19)23-18/h1-7,12-13,16H,8-11,21-22H2/b7-6+
InChIKeyDCKDYUKBZHJDMX-VOTSOKGWSA-N
XLogP3.98
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-aminopiperidin-1-yl)-4-[(E)-2-(3-methylphenyl)ethenyl]thieno[2,3-b]pyridin-3-amine
CID 141077728
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
3-amino-6-(4-aminopiperidin-1-yl)thieno[2,3-b]pyridine-2,4-dicarboxylic acid
CID 22269198
1-(2-methyl-1,3-thiazol-4-yl)piperidin-4-amine
CID 130831630
2-(4-aminopiperidin-1-yl)quinoline-4-carbonitrile
CID 63884859
(4R)-1-(6-methyl-2-phenylpyrimidin-4-yl)azepan-4-amine
CID 95723048
4-(3-amino-4-propylthieno[2,3-b]pyridin-6-yl)piperazine-1-sulfonamide
CID 91128293
3-[2-methyl-6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
CID 171134905
3-amino-6-(4-aminopiperidin-1-yl)-4-[3-fluoro-4-(methyliminomethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 142840255
2-amino-4-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one
CID 135933881

Frequently Asked Questions

What is the IUPAC name of 6-(4-aminopiperidin-1-yl)-4-[(E)-2-phenylethenyl]thieno[2,3-b]pyridin-3-amine?
The IUPAC name of 6-(4-aminopiperidin-1-yl)-4-[(E)-2-phenylethenyl]thieno[2,3-b]pyridin-3-amine (CID 141077743) is 6-(4-aminopiperidin-1-yl)-4-[(E)-2-phenylethenyl]thieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 6-(4-aminopiperidin-1-yl)-4-[(E)-2-phenylethenyl]thieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 6-(4-aminopiperidin-1-yl)-4-[(E)-2-phenylethenyl]thieno[2,3-b]pyridin-3-amine is Nc1csc2nc(N3CCC(N)CC3)cc(/C=C/c3ccccc3)c12.
What is the InChIKey of 6-(4-aminopiperidin-1-yl)-4-[(E)-2-phenylethenyl]thieno[2,3-b]pyridin-3-amine?
The InChIKey is DCKDYUKBZHJDMX-VOTSOKGWSA-N. The full InChI is InChI=1S/C20H22N4S/c21-16-8-10-24(11-9-16)18-12-15(7-6-14-4-2-1-3-5-14)19-17(22)13-25-20(19)23-18/h1-7,12-13,16H,8-11,21-22H2/b7-6+.
What are the key properties of 6-(4-aminopiperidin-1-yl)-4-[(E)-2-phenylethenyl]thieno[2,3-b]pyridin-3-amine?
6-(4-aminopiperidin-1-yl)-4-[(E)-2-phenylethenyl]thieno[2,3-b]pyridin-3-amine has a molecular weight of 350.49 g/mol, XLogP of 3.98, 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-phenylethenyl]thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 141077743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).