3-amino-4,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]thieno[2,3-b]pyridine-2-carboxamide

C18H16F3N3OS — CID 16757564

IUPAC3-amino-4,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(N)c(C(=O)NCc3ccc(C(F)(F)F)cc3)sc2n1
InChIInChI=1S/C18H16F3N3OS/c1-9-7-10(2)24-17-13(9)14(22)15(26-17)16(25)23-8-11-3-5-12(6-4-11)18(19,20)21/h3-7H,8,22H2,1-2H3,(H,23,25)
InChIKeyWYOAEBODMMWELD-UHFFFAOYSA-N
MW379.41 g/mol
LogP4.44
Rot. Bonds3

About 3-amino-4,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-4,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 16757564) has the molecular formula C18H16F3N3OS and a molecular weight of 379.41 g/mol. Its IUPAC name is 3-amino-4,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID16757564
Molecular FormulaC18H16F3N3OS
Molecular Weight379.41 g/mol
Exact Mass379.10
IUPAC Name3-amino-4,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(N)c(C(=O)NCc3ccc(C(F)(F)F)cc3)sc2n1
InChIInChI=1S/C18H16F3N3OS/c1-9-7-10(2)24-17-13(9)14(22)15(26-17)16(25)23-8-11-3-5-12(6-4-11)18(19,20)21/h3-7H,8,22H2,1-2H3,(H,23,25)
InChIKeyWYOAEBODMMWELD-UHFFFAOYSA-N
XLogP4.44
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(4-chlorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 714286
(3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)phenylmethanone
CID 683024
3-Amino-N-(2,3-dimethylphenyl)-6,7-dihydro-5H-cyclopenta[B]thieno[3,2-E]pyridine-2-carboxamide
CID 612420
3-amino-N-(4-fluorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 712295
3-amino-N-(3,4-dimethylphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 798344
3-amino-N-(4-fluorophenyl)-4-phenyl-6-(2-thienyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1772579
2-(1-Piperidinylcarbonyl)-5,6,7,8-tetrahydrothieno(2,3-B)quinolin-3-amine
CID 697512
6-Phenyl-2-(pyrrolidine-1-carbonyl)thieno(2,3-b)pyridin-3-amine
CID 3726387
3-Amino-N-(2,3-DI-ME-PH)-5,6,7,8-tetrahydrothieno(2,3-B)quinoline-2-carboxamide
CID 615708
3-Amino-N-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[B]thieno[3,2-E]pyridine-2-carboxamide
CID 1023422
3-Amino-N-(4-fluorophenyl)-6-(2-thienyl)-4-(trifluoromethyl)thieno(2,3-B)pyridine-2-carboxamide
CID 5175738
(3-Amino-6-methylthieno[2,3-b]pyridin-2-yl)(phenyl)methanone
CID 689408

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]thieno[2,3-b]pyridine-2-carboxamide (CID 16757564) is 3-amino-4,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]thieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C)c2c(N)c(C(=O)NCc3ccc(C(F)(F)F)cc3)sc2n1.
What is the InChIKey of 3-amino-4,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is WYOAEBODMMWELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3OS/c1-9-7-10(2)24-17-13(9)14(22)15(26-17)16(25)23-8-11-3-5-12(6-4-11)18(19,20)21/h3-7H,8,22H2,1-2H3,(H,23,25).
What are the key properties of 3-amino-4,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-4,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 379.41 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 16757564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).