3-amino-4,5,6-trimethyl-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide

C18H19N3OS — CID 23944794

IUPAC3-amino-4,5,6-trimethyl-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2sc3nc(C)c(C)c(C)c3c2N)c1
InChIInChI=1S/C18H19N3OS/c1-9-6-5-7-13(8-9)21-17(22)16-15(19)14-11(3)10(2)12(4)20-18(14)23-16/h5-8H,19H2,1-4H3,(H,21,22)
InChIKeyJKAFIEDYMFQGLZ-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.36
Rot. Bonds2

About 3-amino-4,5,6-trimethyl-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-4,5,6-trimethyl-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23944794) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 3-amino-4,5,6-trimethyl-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4,5,6-trimethyl-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID23944794
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name3-amino-4,5,6-trimethyl-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2sc3nc(C)c(C)c(C)c3c2N)c1
InChIInChI=1S/C18H19N3OS/c1-9-6-5-7-13(8-9)21-17(22)16-15(19)14-11(3)10(2)12(4)20-18(14)23-16/h5-8H,19H2,1-4H3,(H,21,22)
InChIKeyJKAFIEDYMFQGLZ-UHFFFAOYSA-N
XLogP4.36
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-diamino-N-(3-aminophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 143505135
3-amino-N-(3,4-dichlorophenyl)-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 5299650
3-amino-6-methyl-N-(3-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 1178305
3-amino-4,5,6-trimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 23914321
3-amino-N-(1,3-benzothiazol-2-yl)-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 15992244
3-amino-N-(3-methylphenyl)-6-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23745667
3,6-diamino-5-cyano-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 939705
4-methyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 110386385
3-amino-N-(3-methylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 1035102
5-amino-3,4-dimethyl-N-[3-(methylsulfanylmethyl)phenyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 134502874
ethyl 3-[(3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoate
CID 171133227
3-amino-5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-N-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19059135

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5,6-trimethyl-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4,5,6-trimethyl-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide (CID 23944794) is 3-amino-4,5,6-trimethyl-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4,5,6-trimethyl-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4,5,6-trimethyl-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1cccc(NC(=O)c2sc3nc(C)c(C)c(C)c3c2N)c1.
What is the InChIKey of 3-amino-4,5,6-trimethyl-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is JKAFIEDYMFQGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-9-6-5-7-13(8-9)21-17(22)16-15(19)14-11(3)10(2)12(4)20-18(14)23-16/h5-8H,19H2,1-4H3,(H,21,22).
What are the key properties of 3-amino-4,5,6-trimethyl-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-4,5,6-trimethyl-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 325.44 g/mol, XLogP of 4.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5,6-trimethyl-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23944794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).