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2-(4-chlorophenyl)-4-(piperidin-2-ylmethylamino)thieno[3,2-c]pyridine-7-carboxamide

C20H21ClN4OS — CID 52943706

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(4-chlorophenyl)-4-(piperidin-2-ylmethylamino)thieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(NCC2CCCCN2)c2cc(-c3ccc(Cl)cc3)sc12
InChIInChI=1S/C20H21ClN4OS/c21-13-6-4-12(5-7-13)17-9-15-18(27-17)16(19(22)26)11-25-20(15)24-10-14-3-1-2-8-23-14/h4-7,9,11,14,23H,1-3,8,10H2,(H2,22,26)(H,24,25)
InChIKeyHNDIPDMUONQEIX-UHFFFAOYSA-N
MW400.94 g/mol
LogP4.27
Rot. Bonds5

About 2-(4-chlorophenyl)-4-(piperidin-2-ylmethylamino)thieno[3,2-c]pyridine-7-carboxamide

2-(4-chlorophenyl)-4-(piperidin-2-ylmethylamino)thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 52943706) has the molecular formula C20H21ClN4OS and a molecular weight of 400.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(piperidin-2-ylmethylamino)thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(piperidin-2-ylmethylamino)thieno[3,2-c]pyridine-7-carboxamide
PubChem CID52943706
Molecular FormulaC20H21ClN4OS
Molecular Weight400.94 g/mol
Exact Mass400.11
IUPAC Name2-(4-chlorophenyl)-4-(piperidin-2-ylmethylamino)thieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(NCC2CCCCN2)c2cc(-c3ccc(Cl)cc3)sc12
InChIInChI=1S/C20H21ClN4OS/c21-13-6-4-12(5-7-13)17-9-15-18(27-17)16(19(22)26)11-25-20(15)24-10-14-3-1-2-8-23-14/h4-7,9,11,14,23H,1-3,8,10H2,(H2,22,26)(H,24,25)
InChIKeyHNDIPDMUONQEIX-UHFFFAOYSA-N
XLogP4.27
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.94
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(piperidin-2-ylmethylamino)thieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-4-(piperidin-2-ylmethylamino)thieno[3,2-c]pyridine-7-carboxamide (CID 52943706) is 2-(4-chlorophenyl)-4-(piperidin-2-ylmethylamino)thieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(piperidin-2-ylmethylamino)thieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-4-(piperidin-2-ylmethylamino)thieno[3,2-c]pyridine-7-carboxamide is NC(=O)c1cnc(NCC2CCCCN2)c2cc(-c3ccc(Cl)cc3)sc12.
What is the InChIKey of 2-(4-chlorophenyl)-4-(piperidin-2-ylmethylamino)thieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is HNDIPDMUONQEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4OS/c21-13-6-4-12(5-7-13)17-9-15-18(27-17)16(19(22)26)11-25-20(15)24-10-14-3-1-2-8-23-14/h4-7,9,11,14,23H,1-3,8,10H2,(H2,22,26)(H,24,25).
What are the key properties of 2-(4-chlorophenyl)-4-(piperidin-2-ylmethylamino)thieno[3,2-c]pyridine-7-carboxamide?
2-(4-chlorophenyl)-4-(piperidin-2-ylmethylamino)thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 400.94 g/mol, XLogP of 4.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(piperidin-2-ylmethylamino)thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 52943706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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