5-amino-2-anilino-6-cyano-7-phenylthieno[3,2-b]pyridine-3-carboxamide

C21H15N5OS — CID 2982214

IUPAC5-amino-2-anilino-6-cyano-7-phenylthieno[3,2-b]pyridine-3-carboxamide
SMILESN#Cc1c(N)nc2c(C(N)=O)c(Nc3ccccc3)sc2c1-c1ccccc1
InChIInChI=1S/C21H15N5OS/c22-11-14-15(12-7-3-1-4-8-12)18-17(26-19(14)23)16(20(24)27)21(28-18)25-13-9-5-2-6-10-13/h1-10,25H,(H2,23,26)(H2,24,27)
InChIKeyVJCANGHIFSKRFF-UHFFFAOYSA-N
MW385.45 g/mol
LogP4.26
Rot. Bonds4

About 5-amino-2-anilino-6-cyano-7-phenylthieno[3,2-b]pyridine-3-carboxamide

5-amino-2-anilino-6-cyano-7-phenylthieno[3,2-b]pyridine-3-carboxamide (PubChem CID 2982214) has the molecular formula C21H15N5OS and a molecular weight of 385.45 g/mol. Its IUPAC name is 5-amino-2-anilino-6-cyano-7-phenylthieno[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-anilino-6-cyano-7-phenylthieno[3,2-b]pyridine-3-carboxamide
PubChem CID2982214
Molecular FormulaC21H15N5OS
Molecular Weight385.45 g/mol
Exact Mass385.10
IUPAC Name5-amino-2-anilino-6-cyano-7-phenylthieno[3,2-b]pyridine-3-carboxamide
SMILESN#Cc1c(N)nc2c(C(N)=O)c(Nc3ccccc3)sc2c1-c1ccccc1
InChIInChI=1S/C21H15N5OS/c22-11-14-15(12-7-3-1-4-8-12)18-17(26-19(14)23)16(20(24)27)21(28-18)25-13-9-5-2-6-10-13/h1-10,25H,(H2,23,26)(H2,24,27)
InChIKeyVJCANGHIFSKRFF-UHFFFAOYSA-N
XLogP4.26
TPSA117.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-anilino-6-cyano-7-phenylthieno[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-anilino-6-cyano-7-phenylthieno[3,2-b]pyridine-3-carboxamide (CID 2982214) is 5-amino-2-anilino-6-cyano-7-phenylthieno[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-anilino-6-cyano-7-phenylthieno[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-anilino-6-cyano-7-phenylthieno[3,2-b]pyridine-3-carboxamide is N#Cc1c(N)nc2c(C(N)=O)c(Nc3ccccc3)sc2c1-c1ccccc1.
What is the InChIKey of 5-amino-2-anilino-6-cyano-7-phenylthieno[3,2-b]pyridine-3-carboxamide?
The InChIKey is VJCANGHIFSKRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5OS/c22-11-14-15(12-7-3-1-4-8-12)18-17(26-19(14)23)16(20(24)27)21(28-18)25-13-9-5-2-6-10-13/h1-10,25H,(H2,23,26)(H2,24,27).
What are the key properties of 5-amino-2-anilino-6-cyano-7-phenylthieno[3,2-b]pyridine-3-carboxamide?
5-amino-2-anilino-6-cyano-7-phenylthieno[3,2-b]pyridine-3-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 4.26, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-anilino-6-cyano-7-phenylthieno[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 2982214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).