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

C17H14N4OS — CID 10403859

IUPAC4-amino-2-[3-(2-cyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide
SMILESN#CCCc1cccc(-c2cc3c(N)ncc(C(N)=O)c3s2)c1
InChIInChI=1S/C17H14N4OS/c18-6-2-4-10-3-1-5-11(7-10)14-8-12-15(23-14)13(17(20)22)9-21-16(12)19/h1,3,5,7-9H,2,4H2,(H2,19,21)(H2,20,22)
InChIKeyYJSBTVWOHHNRNI-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.10
Rot. Bonds4

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

4-amino-2-[3-(2-cyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 10403859) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is 4-amino-2-[3-(2-cyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name4-amino-2-[3-(2-cyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide
PubChem CID10403859
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC Name4-amino-2-[3-(2-cyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide
SMILESN#CCCc1cccc(-c2cc3c(N)ncc(C(N)=O)c3s2)c1
InChIInChI=1S/C17H14N4OS/c18-6-2-4-10-3-1-5-11(7-10)14-8-12-15(23-14)13(17(20)22)9-21-16(12)19/h1,3,5,7-9H,2,4H2,(H2,19,21)(H2,20,22)
InChIKeyYJSBTVWOHHNRNI-UHFFFAOYSA-N
XLogP3.10
TPSA105.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[3-(2-cyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 4-amino-2-[3-(2-cyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide (CID 10403859) is 4-amino-2-[3-(2-cyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 4-amino-2-[3-(2-cyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 4-amino-2-[3-(2-cyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide is N#CCCc1cccc(-c2cc3c(N)ncc(C(N)=O)c3s2)c1.
What is the InChIKey of 4-amino-2-[3-(2-cyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is YJSBTVWOHHNRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c18-6-2-4-10-3-1-5-11(7-10)14-8-12-15(23-14)13(17(20)22)9-21-16(12)19/h1,3,5,7-9H,2,4H2,(H2,19,21)(H2,20,22).
What are the key properties of 4-amino-2-[3-(2-cyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide?
4-amino-2-[3-(2-cyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 322.39 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[3-(2-cyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 10403859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).