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

C21H28N4O2S — CID 90389275

IUPAC7-[4-[2-(cyclopentanecarbonylamino)ethyl]piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide
SMILESNC(=O)c1cc2ccnc(N3CCC(CCNC(=O)C4CCCC4)CC3)c2s1
InChIInChI=1S/C21H28N4O2S/c22-19(26)17-13-16-6-10-23-20(18(16)28-17)25-11-7-14(8-12-25)5-9-24-21(27)15-3-1-2-4-15/h6,10,13-15H,1-5,7-9,11-12H2,(H2,22,26)(H,24,27)
InChIKeyZNALJFMHIDKWAX-UHFFFAOYSA-N
MW400.55 g/mol
LogP3.31
Rot. Bonds6

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

7-[4-[2-(cyclopentanecarbonylamino)ethyl]piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 90389275) has the molecular formula C21H28N4O2S and a molecular weight of 400.55 g/mol. Its IUPAC name is 7-[4-[2-(cyclopentanecarbonylamino)ethyl]piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-[4-[2-(cyclopentanecarbonylamino)ethyl]piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID90389275
Molecular FormulaC21H28N4O2S
Molecular Weight400.55 g/mol
Exact Mass400.19
IUPAC Name7-[4-[2-(cyclopentanecarbonylamino)ethyl]piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide
SMILESNC(=O)c1cc2ccnc(N3CCC(CCNC(=O)C4CCCC4)CC3)c2s1
InChIInChI=1S/C21H28N4O2S/c22-19(26)17-13-16-6-10-23-20(18(16)28-17)25-11-7-14(8-12-25)5-9-24-21(27)15-3-1-2-4-15/h6,10,13-15H,1-5,7-9,11-12H2,(H2,22,26)(H,24,27)
InChIKeyZNALJFMHIDKWAX-UHFFFAOYSA-N
XLogP3.31
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[2-(cyclopentanecarbonylamino)ethyl]piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 7-[4-[2-(cyclopentanecarbonylamino)ethyl]piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide (CID 90389275) is 7-[4-[2-(cyclopentanecarbonylamino)ethyl]piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 7-[4-[2-(cyclopentanecarbonylamino)ethyl]piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 7-[4-[2-(cyclopentanecarbonylamino)ethyl]piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide is NC(=O)c1cc2ccnc(N3CCC(CCNC(=O)C4CCCC4)CC3)c2s1.
What is the InChIKey of 7-[4-[2-(cyclopentanecarbonylamino)ethyl]piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is ZNALJFMHIDKWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2S/c22-19(26)17-13-16-6-10-23-20(18(16)28-17)25-11-7-14(8-12-25)5-9-24-21(27)15-3-1-2-4-15/h6,10,13-15H,1-5,7-9,11-12H2,(H2,22,26)(H,24,27).
What are the key properties of 7-[4-[2-(cyclopentanecarbonylamino)ethyl]piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide?
7-[4-[2-(cyclopentanecarbonylamino)ethyl]piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 400.55 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[2-(cyclopentanecarbonylamino)ethyl]piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 90389275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).