5-amino-6-cyano-N-methyl-2-(3-methylanilino)-7-phenylthieno[3,2-b]pyridine-3-carboxamide

C23H19N5OS — CID 18874338

IUPAC5-amino-6-cyano-N-methyl-2-(3-methylanilino)-7-phenylthieno[3,2-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(Nc2cccc(C)c2)sc2c(-c3ccccc3)c(C#N)c(N)nc12
InChIInChI=1S/C23H19N5OS/c1-13-7-6-10-15(11-13)27-23-18(22(29)26-2)19-20(30-23)17(14-8-4-3-5-9-14)16(12-24)21(25)28-19/h3-11,27H,1-2H3,(H2,25,28)(H,26,29)
InChIKeySUENMGFBHATUMA-UHFFFAOYSA-N
MW413.51 g/mol
LogP4.83
Rot. Bonds4

About 5-amino-6-cyano-N-methyl-2-(3-methylanilino)-7-phenylthieno[3,2-b]pyridine-3-carboxamide

5-amino-6-cyano-N-methyl-2-(3-methylanilino)-7-phenylthieno[3,2-b]pyridine-3-carboxamide (PubChem CID 18874338) has the molecular formula C23H19N5OS and a molecular weight of 413.51 g/mol. Its IUPAC name is 5-amino-6-cyano-N-methyl-2-(3-methylanilino)-7-phenylthieno[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-6-cyano-N-methyl-2-(3-methylanilino)-7-phenylthieno[3,2-b]pyridine-3-carboxamide
PubChem CID18874338
Molecular FormulaC23H19N5OS
Molecular Weight413.51 g/mol
Exact Mass413.13
IUPAC Name5-amino-6-cyano-N-methyl-2-(3-methylanilino)-7-phenylthieno[3,2-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(Nc2cccc(C)c2)sc2c(-c3ccccc3)c(C#N)c(N)nc12
InChIInChI=1S/C23H19N5OS/c1-13-7-6-10-15(11-13)27-23-18(22(29)26-2)19-20(30-23)17(14-8-4-3-5-9-14)16(12-24)21(25)28-19/h3-11,27H,1-2H3,(H2,25,28)(H,26,29)
InChIKeySUENMGFBHATUMA-UHFFFAOYSA-N
XLogP4.83
TPSA103.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.51
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-cyano-N-methyl-2-(3-methylanilino)-7-phenylthieno[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 5-amino-6-cyano-N-methyl-2-(3-methylanilino)-7-phenylthieno[3,2-b]pyridine-3-carboxamide (CID 18874338) is 5-amino-6-cyano-N-methyl-2-(3-methylanilino)-7-phenylthieno[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-6-cyano-N-methyl-2-(3-methylanilino)-7-phenylthieno[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 5-amino-6-cyano-N-methyl-2-(3-methylanilino)-7-phenylthieno[3,2-b]pyridine-3-carboxamide is CNC(=O)c1c(Nc2cccc(C)c2)sc2c(-c3ccccc3)c(C#N)c(N)nc12.
What is the InChIKey of 5-amino-6-cyano-N-methyl-2-(3-methylanilino)-7-phenylthieno[3,2-b]pyridine-3-carboxamide?
The InChIKey is SUENMGFBHATUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5OS/c1-13-7-6-10-15(11-13)27-23-18(22(29)26-2)19-20(30-23)17(14-8-4-3-5-9-14)16(12-24)21(25)28-19/h3-11,27H,1-2H3,(H2,25,28)(H,26,29).
What are the key properties of 5-amino-6-cyano-N-methyl-2-(3-methylanilino)-7-phenylthieno[3,2-b]pyridine-3-carboxamide?
5-amino-6-cyano-N-methyl-2-(3-methylanilino)-7-phenylthieno[3,2-b]pyridine-3-carboxamide has a molecular weight of 413.51 g/mol, XLogP of 4.83, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-cyano-N-methyl-2-(3-methylanilino)-7-phenylthieno[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 18874338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).