7-[4-[2-(2,2-dimethylpropanoylamino)ethyl]piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide

C20H28N4O2S — CID 71654989

IUPAC7-[4-[2-(2,2-dimethylpropanoylamino)ethyl]piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCC(C)(C)C(=O)NCCC1CCN(c2nccc3cc(C(N)=O)sc23)CC1
InChIInChI=1S/C20H28N4O2S/c1-20(2,3)19(26)23-8-4-13-6-10-24(11-7-13)18-16-14(5-9-22-18)12-15(27-16)17(21)25/h5,9,12-13H,4,6-8,10-11H2,1-3H3,(H2,21,25)(H,23,26)
InChIKeyQAYWRJFDCIJVSW-UHFFFAOYSA-N
MW388.54 g/mol
LogP3.16
Rot. Bonds5

About 7-[4-[2-(2,2-dimethylpropanoylamino)ethyl]piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide

7-[4-[2-(2,2-dimethylpropanoylamino)ethyl]piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 71654989) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is 7-[4-[2-(2,2-dimethylpropanoylamino)ethyl]piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-[4-[2-(2,2-dimethylpropanoylamino)ethyl]piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID71654989
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC Name7-[4-[2-(2,2-dimethylpropanoylamino)ethyl]piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCC(C)(C)C(=O)NCCC1CCN(c2nccc3cc(C(N)=O)sc23)CC1
InChIInChI=1S/C20H28N4O2S/c1-20(2,3)19(26)23-8-4-13-6-10-24(11-7-13)18-16-14(5-9-22-18)12-15(27-16)17(21)25/h5,9,12-13H,4,6-8,10-11H2,1-3H3,(H2,21,25)(H,23,26)
InChIKeyQAYWRJFDCIJVSW-UHFFFAOYSA-N
XLogP3.16
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[2-(2,2-dimethylpropanoylamino)ethyl]piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 7-[4-[2-(2,2-dimethylpropanoylamino)ethyl]piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide (CID 71654989) is 7-[4-[2-(2,2-dimethylpropanoylamino)ethyl]piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 7-[4-[2-(2,2-dimethylpropanoylamino)ethyl]piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 7-[4-[2-(2,2-dimethylpropanoylamino)ethyl]piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide is CC(C)(C)C(=O)NCCC1CCN(c2nccc3cc(C(N)=O)sc23)CC1.
What is the InChIKey of 7-[4-[2-(2,2-dimethylpropanoylamino)ethyl]piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is QAYWRJFDCIJVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-20(2,3)19(26)23-8-4-13-6-10-24(11-7-13)18-16-14(5-9-22-18)12-15(27-16)17(21)25/h5,9,12-13H,4,6-8,10-11H2,1-3H3,(H2,21,25)(H,23,26).
What are the key properties of 7-[4-[2-(2,2-dimethylpropanoylamino)ethyl]piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide?
7-[4-[2-(2,2-dimethylpropanoylamino)ethyl]piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 388.54 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[2-(2,2-dimethylpropanoylamino)ethyl]piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 71654989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).