3,6-diamino-N-(5-chloro-2-pyridinyl)-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide

C20H13ClN6OS — CID 19059793

IUPAC3,6-diamino-N-(5-chloro-2-pyridinyl)-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESN#Cc1c(N)nc2sc(C(=O)Nc3ccc(Cl)cn3)c(N)c2c1-c1ccccc1
InChIInChI=1S/C20H13ClN6OS/c21-11-6-7-13(25-9-11)26-19(28)17-16(23)15-14(10-4-2-1-3-5-10)12(8-22)18(24)27-20(15)29-17/h1-7,9H,23H2,(H2,24,27)(H,25,26,28)
InChIKeyRKUOMMJTYZPJHT-UHFFFAOYSA-N
MW420.89 g/mol
LogP4.30
Rot. Bonds3

About 3,6-diamino-N-(5-chloro-2-pyridinyl)-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide

3,6-diamino-N-(5-chloro-2-pyridinyl)-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19059793) has the molecular formula C20H13ClN6OS and a molecular weight of 420.89 g/mol. Its IUPAC name is 3,6-diamino-N-(5-chloro-2-pyridinyl)-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-diamino-N-(5-chloro-2-pyridinyl)-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID19059793
Molecular FormulaC20H13ClN6OS
Molecular Weight420.89 g/mol
Exact Mass420.06
IUPAC Name3,6-diamino-N-(5-chloro-2-pyridinyl)-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESN#Cc1c(N)nc2sc(C(=O)Nc3ccc(Cl)cn3)c(N)c2c1-c1ccccc1
InChIInChI=1S/C20H13ClN6OS/c21-11-6-7-13(25-9-11)26-19(28)17-16(23)15-14(10-4-2-1-3-5-10)12(8-22)18(24)27-20(15)29-17/h1-7,9H,23H2,(H2,24,27)(H,25,26,28)
InChIKeyRKUOMMJTYZPJHT-UHFFFAOYSA-N
XLogP4.30
TPSA130.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.89
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,6-diamino-N-(5-chloro-2-pyridinyl)-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3,6-diamino-N-(5-chloro-2-pyridinyl)-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide (CID 19059793) is 3,6-diamino-N-(5-chloro-2-pyridinyl)-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-diamino-N-(5-chloro-2-pyridinyl)-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3,6-diamino-N-(5-chloro-2-pyridinyl)-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide is N#Cc1c(N)nc2sc(C(=O)Nc3ccc(Cl)cn3)c(N)c2c1-c1ccccc1.
What is the InChIKey of 3,6-diamino-N-(5-chloro-2-pyridinyl)-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is RKUOMMJTYZPJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN6OS/c21-11-6-7-13(25-9-11)26-19(28)17-16(23)15-14(10-4-2-1-3-5-10)12(8-22)18(24)27-20(15)29-17/h1-7,9H,23H2,(H2,24,27)(H,25,26,28).
What are the key properties of 3,6-diamino-N-(5-chloro-2-pyridinyl)-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
3,6-diamino-N-(5-chloro-2-pyridinyl)-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 420.89 g/mol, XLogP of 4.30, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diamino-N-(5-chloro-2-pyridinyl)-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19059793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).