3-amino-6-methyl-N-(3-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide

C22H19N3OS — CID 1178305

IUPAC3-amino-6-methyl-N-(3-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2sc3nc(C)cc(-c4ccccc4)c3c2N)c1
InChIInChI=1S/C22H19N3OS/c1-13-7-6-10-16(11-13)25-21(26)20-19(23)18-17(15-8-4-3-5-9-15)12-14(2)24-22(18)27-20/h3-12H,23H2,1-2H3,(H,25,26)
InChIKeyMYUHHFPESACTQP-UHFFFAOYSA-N
MW373.48 g/mol
LogP5.41
Rot. Bonds3

About 3-amino-6-methyl-N-(3-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide

3-amino-6-methyl-N-(3-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1178305) has the molecular formula C22H19N3OS and a molecular weight of 373.48 g/mol. Its IUPAC name is 3-amino-6-methyl-N-(3-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-methyl-N-(3-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID1178305
Molecular FormulaC22H19N3OS
Molecular Weight373.48 g/mol
Exact Mass373.12
IUPAC Name3-amino-6-methyl-N-(3-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2sc3nc(C)cc(-c4ccccc4)c3c2N)c1
InChIInChI=1S/C22H19N3OS/c1-13-7-6-10-16(11-13)25-21(26)20-19(23)18-17(15-8-4-3-5-9-15)12-14(2)24-22(18)27-20/h3-12H,23H2,1-2H3,(H,25,26)
InChIKeyMYUHHFPESACTQP-UHFFFAOYSA-N
XLogP5.41
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.48
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4,5,6-trimethyl-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23944794
3-amino-N-(3-nitrophenyl)-4,6-diphenylthieno[2,3-b]pyridine-2-carboxamide
CID 3120416
3-amino-N-(3-chlorophenyl)-6-(4-chlorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3125157
3-amino-N-(2,3-dichlorophenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3133359
3-amino-N-(3-chlorophenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3132344
3-amino-N-(2-ethylphenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3165582
5-amino-N-(3-methoxyphenyl)-4-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide
CID 35177368
3-amino-6-methyl-4-N-phenylthieno[2,3-b]pyridine-2,4-dicarboxamide
CID 23401042
3-amino-4-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridine-2-carbohydrazide
CID 10640367
3,5-diamino-N-(3-aminophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 143505135
3-amino-4-(4-chlorophenyl)-6-phenyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 3131970
N-(4-acetylphenyl)-3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3165281

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-N-(3-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-methyl-N-(3-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide (CID 1178305) is 3-amino-6-methyl-N-(3-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-methyl-N-(3-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-methyl-N-(3-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide is Cc1cccc(NC(=O)c2sc3nc(C)cc(-c4ccccc4)c3c2N)c1.
What is the InChIKey of 3-amino-6-methyl-N-(3-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is MYUHHFPESACTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3OS/c1-13-7-6-10-16(11-13)25-21(26)20-19(23)18-17(15-8-4-3-5-9-15)12-14(2)24-22(18)27-20/h3-12H,23H2,1-2H3,(H,25,26).
What are the key properties of 3-amino-6-methyl-N-(3-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-methyl-N-(3-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 5.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-N-(3-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1178305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).