2-phenyl-4-[[6-(trifluoromethyl)piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide

C20H19F3N4OS — CID 174554107

IUPAC2-phenyl-4-[[6-(trifluoromethyl)piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(NC2CCC(C(F)(F)F)NC2)c2cc(-c3ccccc3)sc12
InChIInChI=1S/C20H19F3N4OS/c21-20(22,23)16-7-6-12(9-25-16)27-19-13-8-15(11-4-2-1-3-5-11)29-17(13)14(10-26-19)18(24)28/h1-5,8,10,12,16,25H,6-7,9H2,(H2,24,28)(H,26,27)
InChIKeyBVSPHESISBSMBX-UHFFFAOYSA-N
MW420.46 g/mol
LogP4.16
Rot. Bonds4

About 2-phenyl-4-[[6-(trifluoromethyl)piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide

2-phenyl-4-[[6-(trifluoromethyl)piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 174554107) has the molecular formula C20H19F3N4OS and a molecular weight of 420.46 g/mol. Its IUPAC name is 2-phenyl-4-[[6-(trifluoromethyl)piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-phenyl-4-[[6-(trifluoromethyl)piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
PubChem CID174554107
Molecular FormulaC20H19F3N4OS
Molecular Weight420.46 g/mol
Exact Mass420.12
IUPAC Name2-phenyl-4-[[6-(trifluoromethyl)piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(NC2CCC(C(F)(F)F)NC2)c2cc(-c3ccccc3)sc12
InChIInChI=1S/C20H19F3N4OS/c21-20(22,23)16-7-6-12(9-25-16)27-19-13-8-15(11-4-2-1-3-5-11)29-17(13)14(10-26-19)18(24)28/h1-5,8,10,12,16,25H,6-7,9H2,(H2,24,28)(H,26,27)
InChIKeyBVSPHESISBSMBX-UHFFFAOYSA-N
XLogP4.16
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[[6-(trifluoromethyl)piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 2-phenyl-4-[[6-(trifluoromethyl)piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide (CID 174554107) is 2-phenyl-4-[[6-(trifluoromethyl)piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 2-phenyl-4-[[6-(trifluoromethyl)piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 2-phenyl-4-[[6-(trifluoromethyl)piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide is NC(=O)c1cnc(NC2CCC(C(F)(F)F)NC2)c2cc(-c3ccccc3)sc12.
What is the InChIKey of 2-phenyl-4-[[6-(trifluoromethyl)piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is BVSPHESISBSMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4OS/c21-20(22,23)16-7-6-12(9-25-16)27-19-13-8-15(11-4-2-1-3-5-11)29-17(13)14(10-26-19)18(24)28/h1-5,8,10,12,16,25H,6-7,9H2,(H2,24,28)(H,26,27).
What are the key properties of 2-phenyl-4-[[6-(trifluoromethyl)piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
2-phenyl-4-[[6-(trifluoromethyl)piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 420.46 g/mol, XLogP of 4.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[[6-(trifluoromethyl)piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 174554107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).