N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide

C20H22F3N3O2S — CID 165143402

IUPACN-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
SMILESO=C(Nc1cc(CN2CCOCC2)cc(C(F)(F)F)c1)c1csc2c1CCNC2
InChIInChI=1S/C20H22F3N3O2S/c21-20(22,23)14-7-13(11-26-3-5-28-6-4-26)8-15(9-14)25-19(27)17-12-29-18-10-24-2-1-16(17)18/h7-9,12,24H,1-6,10-11H2,(H,25,27)
InChIKeyUYRRYBXQYVQRNL-UHFFFAOYSA-N
MW425.48 g/mol
LogP3.50
Rot. Bonds4

About N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide

N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide (PubChem CID 165143402) has the molecular formula C20H22F3N3O2S and a molecular weight of 425.48 g/mol. Its IUPAC name is N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
PubChem CID165143402
Molecular FormulaC20H22F3N3O2S
Molecular Weight425.48 g/mol
Exact Mass425.14
IUPAC NameN-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
SMILESO=C(Nc1cc(CN2CCOCC2)cc(C(F)(F)F)c1)c1csc2c1CCNC2
InChIInChI=1S/C20H22F3N3O2S/c21-20(22,23)14-7-13(11-26-3-5-28-6-4-26)8-15(9-14)25-19(27)17-12-29-18-10-24-2-1-16(17)18/h7-9,12,24H,1-6,10-11H2,(H,25,27)
InChIKeyUYRRYBXQYVQRNL-UHFFFAOYSA-N
XLogP3.50
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 171059121
N-[3-cyano-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 165143004
N-[5-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 165143298
N-[3-fluoro-5-(trifluoromethyl)phenyl]-6-[[2-(methylamino)pyrimidin-5-yl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 165142953
6-[(2-aminopyrimidin-5-yl)methyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 171730169
6-(pyridin-3-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 165142951
4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine
CID 178059830
N-[4-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 108731001
4-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2211000
6-(pyrazolo[1,5-a]pyrimidin-6-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 165143290
phenyl N-[3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamate
CID 118233827
6-[(2-aminopyrimidin-5-yl)methyl]-N-[3-(1,1-difluoroethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 165142840

Frequently Asked Questions

What is the IUPAC name of N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide (CID 165143402) is N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide is O=C(Nc1cc(CN2CCOCC2)cc(C(F)(F)F)c1)c1csc2c1CCNC2.
What is the InChIKey of N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is UYRRYBXQYVQRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2S/c21-20(22,23)14-7-13(11-26-3-5-28-6-4-26)8-15(9-14)25-19(27)17-12-29-18-10-24-2-1-16(17)18/h7-9,12,24H,1-6,10-11H2,(H,25,27).
What are the key properties of N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide?
N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 425.48 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 165143402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).