4-amino-2-[4-(cyanomethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide

C16H12N4O2S — CID 23585610

IUPAC4-amino-2-[4-(cyanomethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide
SMILESN#CCOc1ccc(-c2cc3c(N)ncc(C(N)=O)c3s2)cc1
InChIInChI=1S/C16H12N4O2S/c17-5-6-22-10-3-1-9(2-4-10)13-7-11-14(23-13)12(16(19)21)8-20-15(11)18/h1-4,7-8H,6H2,(H2,18,20)(H2,19,21)
InChIKeyTZJBYUPNJSVESX-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.55
Rot. Bonds4

About 4-amino-2-[4-(cyanomethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide

4-amino-2-[4-(cyanomethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 23585610) has the molecular formula C16H12N4O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is 4-amino-2-[4-(cyanomethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name4-amino-2-[4-(cyanomethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide
PubChem CID23585610
Molecular FormulaC16H12N4O2S
Molecular Weight324.37 g/mol
Exact Mass324.07
IUPAC Name4-amino-2-[4-(cyanomethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide
SMILESN#CCOc1ccc(-c2cc3c(N)ncc(C(N)=O)c3s2)cc1
InChIInChI=1S/C16H12N4O2S/c17-5-6-22-10-3-1-9(2-4-10)13-7-11-14(23-13)12(16(19)21)8-20-15(11)18/h1-4,7-8H,6H2,(H2,18,20)(H2,19,21)
InChIKeyTZJBYUPNJSVESX-UHFFFAOYSA-N
XLogP2.55
TPSA115.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[4-(cyanomethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 4-amino-2-[4-(cyanomethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide (CID 23585610) is 4-amino-2-[4-(cyanomethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 4-amino-2-[4-(cyanomethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 4-amino-2-[4-(cyanomethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide is N#CCOc1ccc(-c2cc3c(N)ncc(C(N)=O)c3s2)cc1.
What is the InChIKey of 4-amino-2-[4-(cyanomethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is TZJBYUPNJSVESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2S/c17-5-6-22-10-3-1-9(2-4-10)13-7-11-14(23-13)12(16(19)21)8-20-15(11)18/h1-4,7-8H,6H2,(H2,18,20)(H2,19,21).
What are the key properties of 4-amino-2-[4-(cyanomethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide?
4-amino-2-[4-(cyanomethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 324.37 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[4-(cyanomethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 23585610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).