3-amino-4-[4-[3-(dimethylamino)-3-oxopropyl]phenoxy]thieno[2,3-b]pyridine-2-carboxamide

C19H20N4O3S — CID 25004904

IUPAC3-amino-4-[4-[3-(dimethylamino)-3-oxopropyl]phenoxy]thieno[2,3-b]pyridine-2-carboxamide
SMILESCN(C)C(=O)CCc1ccc(Oc2ccnc3sc(C(N)=O)c(N)c23)cc1
InChIInChI=1S/C19H20N4O3S/c1-23(2)14(24)8-5-11-3-6-12(7-4-11)26-13-9-10-22-19-15(13)16(20)17(27-19)18(21)25/h3-4,6-7,9-10H,5,8,20H2,1-2H3,(H2,21,25)
InChIKeyQJJWCNHFEBZQTK-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.79
Rot. Bonds6

About 3-amino-4-[4-[3-(dimethylamino)-3-oxopropyl]phenoxy]thieno[2,3-b]pyridine-2-carboxamide

3-amino-4-[4-[3-(dimethylamino)-3-oxopropyl]phenoxy]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 25004904) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 3-amino-4-[4-[3-(dimethylamino)-3-oxopropyl]phenoxy]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-[4-[3-(dimethylamino)-3-oxopropyl]phenoxy]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID25004904
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name3-amino-4-[4-[3-(dimethylamino)-3-oxopropyl]phenoxy]thieno[2,3-b]pyridine-2-carboxamide
SMILESCN(C)C(=O)CCc1ccc(Oc2ccnc3sc(C(N)=O)c(N)c23)cc1
InChIInChI=1S/C19H20N4O3S/c1-23(2)14(24)8-5-11-3-6-12(7-4-11)26-13-9-10-22-19-15(13)16(20)17(27-19)18(21)25/h3-4,6-7,9-10H,5,8,20H2,1-2H3,(H2,21,25)
InChIKeyQJJWCNHFEBZQTK-UHFFFAOYSA-N
XLogP2.79
TPSA111.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[4-[3-(dimethylamino)-3-oxopropyl]phenoxy]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-[4-[3-(dimethylamino)-3-oxopropyl]phenoxy]thieno[2,3-b]pyridine-2-carboxamide (CID 25004904) is 3-amino-4-[4-[3-(dimethylamino)-3-oxopropyl]phenoxy]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-[4-[3-(dimethylamino)-3-oxopropyl]phenoxy]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-[4-[3-(dimethylamino)-3-oxopropyl]phenoxy]thieno[2,3-b]pyridine-2-carboxamide is CN(C)C(=O)CCc1ccc(Oc2ccnc3sc(C(N)=O)c(N)c23)cc1.
What is the InChIKey of 3-amino-4-[4-[3-(dimethylamino)-3-oxopropyl]phenoxy]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is QJJWCNHFEBZQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-23(2)14(24)8-5-11-3-6-12(7-4-11)26-13-9-10-22-19-15(13)16(20)17(27-19)18(21)25/h3-4,6-7,9-10H,5,8,20H2,1-2H3,(H2,21,25).
What are the key properties of 3-amino-4-[4-[3-(dimethylamino)-3-oxopropyl]phenoxy]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-4-[4-[3-(dimethylamino)-3-oxopropyl]phenoxy]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[4-[3-(dimethylamino)-3-oxopropyl]phenoxy]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 25004904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).