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

C23H24N4O4S — CID 10906508

IUPAC4-[4-[(E)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]phenoxy]thieno[2,3-c]pyridine-2-carboxamide
SMILESNC(=O)c1cc2c(Oc3ccc(/C=C/C(=O)NCCN4CCOCC4)cc3)cncc2s1
InChIInChI=1S/C23H24N4O4S/c24-23(29)20-13-18-19(14-25-15-21(18)32-20)31-17-4-1-16(2-5-17)3-6-22(28)26-7-8-27-9-11-30-12-10-27/h1-6,13-15H,7-12H2,(H2,24,29)(H,26,28)/b6-3+
InChIKeyHKXYPZQSYGTMCA-ZZXKWVIFSA-N
MW452.54 g/mol
LogP2.65
Rot. Bonds8

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

4-[4-[(E)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]phenoxy]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 10906508) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is 4-[4-[(E)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]phenoxy]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[(E)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]phenoxy]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID10906508
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC Name4-[4-[(E)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]phenoxy]thieno[2,3-c]pyridine-2-carboxamide
SMILESNC(=O)c1cc2c(Oc3ccc(/C=C/C(=O)NCCN4CCOCC4)cc3)cncc2s1
InChIInChI=1S/C23H24N4O4S/c24-23(29)20-13-18-19(14-25-15-21(18)32-20)31-17-4-1-16(2-5-17)3-6-22(28)26-7-8-27-9-11-30-12-10-27/h1-6,13-15H,7-12H2,(H2,24,29)(H,26,28)/b6-3+
InChIKeyHKXYPZQSYGTMCA-ZZXKWVIFSA-N
XLogP2.65
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 52.65
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 4-[4-[(E)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]phenoxy]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-[4-[(E)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]phenoxy]thieno[2,3-c]pyridine-2-carboxamide (CID 10906508) is 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 4-[4-[(E)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]phenoxy]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-[4-[(E)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]phenoxy]thieno[2,3-c]pyridine-2-carboxamide is NC(=O)c1cc2c(Oc3ccc(/C=C/C(=O)NCCN4CCOCC4)cc3)cncc2s1.
What is the InChIKey of 4-[4-[(E)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]phenoxy]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is HKXYPZQSYGTMCA-ZZXKWVIFSA-N. The full InChI is InChI=1S/C23H24N4O4S/c24-23(29)20-13-18-19(14-25-15-21(18)32-20)31-17-4-1-16(2-5-17)3-6-22(28)26-7-8-27-9-11-30-12-10-27/h1-6,13-15H,7-12H2,(H2,24,29)(H,26,28)/b6-3+.
What are the key properties of 4-[4-[(E)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]phenoxy]thieno[2,3-c]pyridine-2-carboxamide?
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 452.54 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 10906508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).