3,6-diamino-5-cyano-4-(furan-2-yl)-N,N-diphenylthieno[2,3-b]pyridine-2-carboxamide

C25H17N5O2S — CID 23971415

IUPAC3,6-diamino-5-cyano-4-(furan-2-yl)-N,N-diphenylthieno[2,3-b]pyridine-2-carboxamide
SMILESN#Cc1c(N)nc2sc(C(=O)N(c3ccccc3)c3ccccc3)c(N)c2c1-c1ccco1
InChIInChI=1S/C25H17N5O2S/c26-14-17-19(18-12-7-13-32-18)20-21(27)22(33-24(20)29-23(17)28)25(31)30(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13H,27H2,(H2,28,29)
InChIKeyQSLGAHYSQOJJKE-UHFFFAOYSA-N
MW451.51 g/mol
LogP5.57
Rot. Bonds4

About 3,6-diamino-5-cyano-4-(furan-2-yl)-N,N-diphenylthieno[2,3-b]pyridine-2-carboxamide

3,6-diamino-5-cyano-4-(furan-2-yl)-N,N-diphenylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23971415) has the molecular formula C25H17N5O2S and a molecular weight of 451.51 g/mol. Its IUPAC name is 3,6-diamino-5-cyano-4-(furan-2-yl)-N,N-diphenylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-diamino-5-cyano-4-(furan-2-yl)-N,N-diphenylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID23971415
Molecular FormulaC25H17N5O2S
Molecular Weight451.51 g/mol
Exact Mass451.11
IUPAC Name3,6-diamino-5-cyano-4-(furan-2-yl)-N,N-diphenylthieno[2,3-b]pyridine-2-carboxamide
SMILESN#Cc1c(N)nc2sc(C(=O)N(c3ccccc3)c3ccccc3)c(N)c2c1-c1ccco1
InChIInChI=1S/C25H17N5O2S/c26-14-17-19(18-12-7-13-32-18)20-21(27)22(33-24(20)29-23(17)28)25(31)30(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13H,27H2,(H2,28,29)
InChIKeyQSLGAHYSQOJJKE-UHFFFAOYSA-N
XLogP5.57
TPSA122.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.51
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,6-diamino-5-cyano-4-(furan-2-yl)-N,N-diphenylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3,6-diamino-5-cyano-4-(furan-2-yl)-N,N-diphenylthieno[2,3-b]pyridine-2-carboxamide (CID 23971415) is 3,6-diamino-5-cyano-4-(furan-2-yl)-N,N-diphenylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-diamino-5-cyano-4-(furan-2-yl)-N,N-diphenylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3,6-diamino-5-cyano-4-(furan-2-yl)-N,N-diphenylthieno[2,3-b]pyridine-2-carboxamide is N#Cc1c(N)nc2sc(C(=O)N(c3ccccc3)c3ccccc3)c(N)c2c1-c1ccco1.
What is the InChIKey of 3,6-diamino-5-cyano-4-(furan-2-yl)-N,N-diphenylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is QSLGAHYSQOJJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N5O2S/c26-14-17-19(18-12-7-13-32-18)20-21(27)22(33-24(20)29-23(17)28)25(31)30(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13H,27H2,(H2,28,29).
What are the key properties of 3,6-diamino-5-cyano-4-(furan-2-yl)-N,N-diphenylthieno[2,3-b]pyridine-2-carboxamide?
3,6-diamino-5-cyano-4-(furan-2-yl)-N,N-diphenylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 451.51 g/mol, XLogP of 5.57, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diamino-5-cyano-4-(furan-2-yl)-N,N-diphenylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23971415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).