N-methyl-4-[4-[(E)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]phenoxy]thieno[2,3-c]pyridine-2-carboxamide

C24H26N4O4S — CID 11134430

IUPACN-methyl-4-[4-[(E)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]phenoxy]thieno[2,3-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(Oc3ccc(/C=C/C(=O)NCCN4CCOCC4)cc3)cncc2s1
InChIInChI=1S/C24H26N4O4S/c1-25-24(30)21-14-19-20(15-26-16-22(19)33-21)32-18-5-2-17(3-6-18)4-7-23(29)27-8-9-28-10-12-31-13-11-28/h2-7,14-16H,8-13H2,1H3,(H,25,30)(H,27,29)/b7-4+
InChIKeyQWJGUZRSOSDRAN-QPJJXVBHSA-N
MW466.56 g/mol
LogP2.91
Rot. Bonds8

About N-methyl-4-[4-[(E)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]phenoxy]thieno[2,3-c]pyridine-2-carboxamide

N-methyl-4-[4-[(E)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]phenoxy]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 11134430) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is N-methyl-4-[4-[(E)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]phenoxy]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[4-[(E)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]phenoxy]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID11134430
Molecular FormulaC24H26N4O4S
Molecular Weight466.56 g/mol
Exact Mass466.17
IUPAC NameN-methyl-4-[4-[(E)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]phenoxy]thieno[2,3-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(Oc3ccc(/C=C/C(=O)NCCN4CCOCC4)cc3)cncc2s1
InChIInChI=1S/C24H26N4O4S/c1-25-24(30)21-14-19-20(15-26-16-22(19)33-21)32-18-5-2-17(3-6-18)4-7-23(29)27-8-9-28-10-12-31-13-11-28/h2-7,14-16H,8-13H2,1H3,(H,25,30)(H,27,29)/b7-4+
InChIKeyQWJGUZRSOSDRAN-QPJJXVBHSA-N
XLogP2.91
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-[(E)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]phenoxy]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[4-[(E)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]phenoxy]thieno[2,3-c]pyridine-2-carboxamide (CID 11134430) is N-methyl-4-[4-[(E)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]phenoxy]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[4-[(E)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]phenoxy]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[4-[(E)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]phenoxy]thieno[2,3-c]pyridine-2-carboxamide is CNC(=O)c1cc2c(Oc3ccc(/C=C/C(=O)NCCN4CCOCC4)cc3)cncc2s1.
What is the InChIKey of N-methyl-4-[4-[(E)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]phenoxy]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is QWJGUZRSOSDRAN-QPJJXVBHSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-25-24(30)21-14-19-20(15-26-16-22(19)33-21)32-18-5-2-17(3-6-18)4-7-23(29)27-8-9-28-10-12-31-13-11-28/h2-7,14-16H,8-13H2,1H3,(H,25,30)(H,27,29)/b7-4+.
What are the key properties of N-methyl-4-[4-[(E)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]phenoxy]thieno[2,3-c]pyridine-2-carboxamide?
N-methyl-4-[4-[(E)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]phenoxy]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 466.56 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-[(E)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]phenoxy]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 11134430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).