3-amino-6-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-(dimethylamino)-6-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;6-methyl-3-(methylamino)-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C57H54F9N9O3S3 — CID 159264680

IUPAC3-amino-6-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-(dimethylamino)-6-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;6-methyl-3-(methylamino)-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCNc1c(C(=O)NCCc2ccccc2)sc2nc(C)cc(C(F)(F)F)c12.Cc1cc(C(F)(F)F)c2c(N(C)C)c(C(=O)NCCc3ccccc3)sc2n1.Cc1cc(C(F)(F)F)c2c(N)c(C(=O)NCCc3ccccc3)sc2n1
InChIInChI=1S/C20H20F3N3OS.C19H18F3N3OS.C18H16F3N3OS/c1-12-11-14(20(21,22)23)15-16(26(2)3)17(28-19(15)25-12)18(27)24-10-9-13-7-5-4-6-8-13;1-11-10-13(19(20,21)22)14-15(23-2)16(27-18(14)25-11)17(26)24-9-8-12-6-4-3-5-7-12;1-10-9-12(18(19,20)21)13-14(22)15(26-17(13)24-10)16(25)23-8-7-11-5-3-2-4-6-11/h4-8,11H,9-10H2,1-3H3,(H,24,27);3-7,10,23H,8-9H2,1-2H3,(H,24,26);2-6,9H,7-8,22H2,1H3,(H,23,25)
InChIKeyKWYJLYRFQUBRGO-UHFFFAOYSA-N
MW1180.30 g/mol
LogP13.48
Rot. Bonds14

About 3-amino-6-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-(dimethylamino)-6-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;6-methyl-3-(methylamino)-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-6-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-(dimethylamino)-6-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;6-methyl-3-(methylamino)-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 159264680) has the molecular formula C57H54F9N9O3S3 and a molecular weight of 1180.30 g/mol. Its IUPAC name is 3-amino-6-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-(dimethylamino)-6-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;6-methyl-3-(methylamino)-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-(dimethylamino)-6-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;6-methyl-3-(methylamino)-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID159264680
Molecular FormulaC57H54F9N9O3S3
Molecular Weight1180.30 g/mol
Exact Mass1179.34
IUPAC Name3-amino-6-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-(dimethylamino)-6-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;6-methyl-3-(methylamino)-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCNc1c(C(=O)NCCc2ccccc2)sc2nc(C)cc(C(F)(F)F)c12.Cc1cc(C(F)(F)F)c2c(N(C)C)c(C(=O)NCCc3ccccc3)sc2n1.Cc1cc(C(F)(F)F)c2c(N)c(C(=O)NCCc3ccccc3)sc2n1
InChIInChI=1S/C20H20F3N3OS.C19H18F3N3OS.C18H16F3N3OS/c1-12-11-14(20(21,22)23)15-16(26(2)3)17(28-19(15)25-12)18(27)24-10-9-13-7-5-4-6-8-13;1-11-10-13(19(20,21)22)14-15(23-2)16(27-18(14)25-11)17(26)24-9-8-12-6-4-3-5-7-12;1-10-9-12(18(19,20)21)13-14(22)15(26-17(13)24-10)16(25)23-8-7-11-5-3-2-4-6-11/h4-8,11H,9-10H2,1-3H3,(H,24,27);3-7,10,23H,8-9H2,1-2H3,(H,24,26);2-6,9H,7-8,22H2,1H3,(H,23,25)
InChIKeyKWYJLYRFQUBRGO-UHFFFAOYSA-N
XLogP13.48
TPSA167.26 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001180.30
LogP ≤ 513.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze 3-amino-6-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-(dimethylamino)-6-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;6-methyl-3-(methylamino)-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

3-Amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734373
3-amino-N-(2,6-difluorophenyl)-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 1508263
3-amino-N-benzyl-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 1541121
3-Amino-N,N-diethyl-6-PH-4-(trifluoromethyl)thieno(2,3-B)pyridine-2-carboxamide
CID 1157648
3-amino-4,6-dimethyl-N-(2-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 707443
3-amino-4,6-dimethyl-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 2793404
3-amino-6-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 1004132
3-Amino-4,6-dimethyl-N-(4-(trifluoromethyl)benzyl)thieno[2,3-b]pyridine-2-carboxamide 2,2,2-trifluoroacetate
CID 16757564
1-{3-amino-2-[(4-fluorophenyl)carbonyl]-4-(trifluoromethyl)-7,8-dihydrothieno[2,3-b][1,6]naphthyridin-6(5H)-yl}ethanone
CID 1510902
3-amino-6-methyl-N-propan-2-yl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 1089897
(3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-2-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone
CID 1509257
3-amino-N-propan-2-yl-4,6-dithiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 1772756

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-(dimethylamino)-6-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;6-methyl-3-(methylamino)-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-(dimethylamino)-6-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;6-methyl-3-(methylamino)-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 159264680) is 3-amino-6-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-(dimethylamino)-6-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;6-methyl-3-(methylamino)-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-(dimethylamino)-6-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;6-methyl-3-(methylamino)-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-(dimethylamino)-6-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;6-methyl-3-(methylamino)-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is CNc1c(C(=O)NCCc2ccccc2)sc2nc(C)cc(C(F)(F)F)c12.Cc1cc(C(F)(F)F)c2c(N(C)C)c(C(=O)NCCc3ccccc3)sc2n1.Cc1cc(C(F)(F)F)c2c(N)c(C(=O)NCCc3ccccc3)sc2n1.
What is the InChIKey of 3-amino-6-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-(dimethylamino)-6-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;6-methyl-3-(methylamino)-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is KWYJLYRFQUBRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3OS.C19H18F3N3OS.C18H16F3N3OS/c1-12-11-14(20(21,22)23)15-16(26(2)3)17(28-19(15)25-12)18(27)24-10-9-13-7-5-4-6-8-13;1-11-10-13(19(20,21)22)14-15(23-2)16(27-18(14)25-11)17(26)24-9-8-12-6-4-3-5-7-12;1-10-9-12(18(19,20)21)13-14(22)15(26-17(13)24-10)16(25)23-8-7-11-5-3-2-4-6-11/h4-8,11H,9-10H2,1-3H3,(H,24,27);3-7,10,23H,8-9H2,1-2H3,(H,24,26);2-6,9H,7-8,22H2,1H3,(H,23,25).
What are the key properties of 3-amino-6-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-(dimethylamino)-6-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;6-methyl-3-(methylamino)-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-(dimethylamino)-6-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;6-methyl-3-(methylamino)-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 1180.30 g/mol, XLogP of 13.48, 14 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-(dimethylamino)-6-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;6-methyl-3-(methylamino)-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 159264680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).