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

C21H19N3O4S — CID 10905666

IUPAC4-[4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]phenoxy]thieno[2,3-c]pyridine-2-carboxamide
SMILESNC(=O)c1cc2c(Oc3ccc(/C=C/C(=O)N4CCOCC4)cc3)cncc2s1
InChIInChI=1S/C21H19N3O4S/c22-21(26)18-11-16-17(12-23-13-19(16)29-18)28-15-4-1-14(2-5-15)3-6-20(25)24-7-9-27-10-8-24/h1-6,11-13H,7-10H2,(H2,22,26)/b6-3+
InChIKeyYMFWNFLVGCSPLS-ZZXKWVIFSA-N
MW409.47 g/mol
LogP3.06
Rot. Bonds5

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

4-[4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]phenoxy]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 10905666) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is 4-[4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]phenoxy]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]phenoxy]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID10905666
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC Name4-[4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]phenoxy]thieno[2,3-c]pyridine-2-carboxamide
SMILESNC(=O)c1cc2c(Oc3ccc(/C=C/C(=O)N4CCOCC4)cc3)cncc2s1
InChIInChI=1S/C21H19N3O4S/c22-21(26)18-11-16-17(12-23-13-19(16)29-18)28-15-4-1-14(2-5-15)3-6-20(25)24-7-9-27-10-8-24/h1-6,11-13H,7-10H2,(H2,22,26)/b6-3+
InChIKeyYMFWNFLVGCSPLS-ZZXKWVIFSA-N
XLogP3.06
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-morpholin-4-yl-3-oxoprop-1-enyl]phenoxy]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-[4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]phenoxy]thieno[2,3-c]pyridine-2-carboxamide (CID 10905666) is 4-[4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]phenoxy]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]phenoxy]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-[4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]phenoxy]thieno[2,3-c]pyridine-2-carboxamide is NC(=O)c1cc2c(Oc3ccc(/C=C/C(=O)N4CCOCC4)cc3)cncc2s1.
What is the InChIKey of 4-[4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]phenoxy]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is YMFWNFLVGCSPLS-ZZXKWVIFSA-N. The full InChI is InChI=1S/C21H19N3O4S/c22-21(26)18-11-16-17(12-23-13-19(16)29-18)28-15-4-1-14(2-5-15)3-6-20(25)24-7-9-27-10-8-24/h1-6,11-13H,7-10H2,(H2,22,26)/b6-3+.
What are the key properties of 4-[4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]phenoxy]thieno[2,3-c]pyridine-2-carboxamide?
4-[4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]phenoxy]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 409.47 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]phenoxy]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 10905666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).