5-amino-2-anilino-6-cyano-N-(furan-2-ylmethyl)-7-phenylthieno[3,2-b]pyridine-3-carboxamide

C26H19N5O2S — CID 18874383

IUPAC5-amino-2-anilino-6-cyano-N-(furan-2-ylmethyl)-7-phenylthieno[3,2-b]pyridine-3-carboxamide
SMILESN#Cc1c(N)nc2c(C(=O)NCc3ccco3)c(Nc3ccccc3)sc2c1-c1ccccc1
InChIInChI=1S/C26H19N5O2S/c27-14-19-20(16-8-3-1-4-9-16)23-22(31-24(19)28)21(25(32)29-15-18-12-7-13-33-18)26(34-23)30-17-10-5-2-6-11-17/h1-13,30H,15H2,(H2,28,31)(H,29,32)
InChIKeyLKNRXYONGPPPPM-UHFFFAOYSA-N
MW465.54 g/mol
LogP5.68
Rot. Bonds6

About 5-amino-2-anilino-6-cyano-N-(furan-2-ylmethyl)-7-phenylthieno[3,2-b]pyridine-3-carboxamide

5-amino-2-anilino-6-cyano-N-(furan-2-ylmethyl)-7-phenylthieno[3,2-b]pyridine-3-carboxamide (PubChem CID 18874383) has the molecular formula C26H19N5O2S and a molecular weight of 465.54 g/mol. Its IUPAC name is 5-amino-2-anilino-6-cyano-N-(furan-2-ylmethyl)-7-phenylthieno[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-anilino-6-cyano-N-(furan-2-ylmethyl)-7-phenylthieno[3,2-b]pyridine-3-carboxamide
PubChem CID18874383
Molecular FormulaC26H19N5O2S
Molecular Weight465.54 g/mol
Exact Mass465.13
IUPAC Name5-amino-2-anilino-6-cyano-N-(furan-2-ylmethyl)-7-phenylthieno[3,2-b]pyridine-3-carboxamide
SMILESN#Cc1c(N)nc2c(C(=O)NCc3ccco3)c(Nc3ccccc3)sc2c1-c1ccccc1
InChIInChI=1S/C26H19N5O2S/c27-14-19-20(16-8-3-1-4-9-16)23-22(31-24(19)28)21(25(32)29-15-18-12-7-13-33-18)26(34-23)30-17-10-5-2-6-11-17/h1-13,30H,15H2,(H2,28,31)(H,29,32)
InChIKeyLKNRXYONGPPPPM-UHFFFAOYSA-N
XLogP5.68
TPSA116.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.54
LogP ≤ 55.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-anilino-6-cyano-N-(furan-2-ylmethyl)-7-phenylthieno[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-anilino-6-cyano-N-(furan-2-ylmethyl)-7-phenylthieno[3,2-b]pyridine-3-carboxamide (CID 18874383) is 5-amino-2-anilino-6-cyano-N-(furan-2-ylmethyl)-7-phenylthieno[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-anilino-6-cyano-N-(furan-2-ylmethyl)-7-phenylthieno[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-anilino-6-cyano-N-(furan-2-ylmethyl)-7-phenylthieno[3,2-b]pyridine-3-carboxamide is N#Cc1c(N)nc2c(C(=O)NCc3ccco3)c(Nc3ccccc3)sc2c1-c1ccccc1.
What is the InChIKey of 5-amino-2-anilino-6-cyano-N-(furan-2-ylmethyl)-7-phenylthieno[3,2-b]pyridine-3-carboxamide?
The InChIKey is LKNRXYONGPPPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N5O2S/c27-14-19-20(16-8-3-1-4-9-16)23-22(31-24(19)28)21(25(32)29-15-18-12-7-13-33-18)26(34-23)30-17-10-5-2-6-11-17/h1-13,30H,15H2,(H2,28,31)(H,29,32).
What are the key properties of 5-amino-2-anilino-6-cyano-N-(furan-2-ylmethyl)-7-phenylthieno[3,2-b]pyridine-3-carboxamide?
5-amino-2-anilino-6-cyano-N-(furan-2-ylmethyl)-7-phenylthieno[3,2-b]pyridine-3-carboxamide has a molecular weight of 465.54 g/mol, XLogP of 5.68, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-anilino-6-cyano-N-(furan-2-ylmethyl)-7-phenylthieno[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 18874383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).