N-(4-morpholin-4-ylphenyl)-5-phenylthieno[2,3-b]pyridine-2-carboxamide

C24H21N3O2S — CID 155288065

IUPACN-(4-morpholin-4-ylphenyl)-5-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1cc2cc(-c3ccccc3)cnc2s1
InChIInChI=1S/C24H21N3O2S/c28-23(26-20-6-8-21(9-7-20)27-10-12-29-13-11-27)22-15-18-14-19(16-25-24(18)30-22)17-4-2-1-3-5-17/h1-9,14-16H,10-13H2,(H,26,28)
InChIKeyKWWLLKDZPXKHQY-UHFFFAOYSA-N
MW415.52 g/mol
LogP5.05
Rot. Bonds4

About N-(4-morpholin-4-ylphenyl)-5-phenylthieno[2,3-b]pyridine-2-carboxamide

N-(4-morpholin-4-ylphenyl)-5-phenylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 155288065) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-5-phenylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-5-phenylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID155288065
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC NameN-(4-morpholin-4-ylphenyl)-5-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1cc2cc(-c3ccccc3)cnc2s1
InChIInChI=1S/C24H21N3O2S/c28-23(26-20-6-8-21(9-7-20)27-10-12-29-13-11-27)22-15-18-14-19(16-25-24(18)30-22)17-4-2-1-3-5-17/h1-9,14-16H,10-13H2,(H,26,28)
InChIKeyKWWLLKDZPXKHQY-UHFFFAOYSA-N
XLogP5.05
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.52
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 155287783
N-(4-morpholin-4-ylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 2447508
2-(methylamino)-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide
CID 75435971
N-(2-morpholin-4-ylpyrimidin-5-yl)-1-benzothiophene-2-carboxamide
CID 122298901
N-(4-morpholin-4-ylphenyl)-3-phenylthiophene-2-carboxamide
CID 17444618
5-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 8961115
3-[(3-fluorobenzoyl)amino]-N-(4-morpholin-4-ylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67398195
N-(4-morpholin-4-ylphenyl)-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 53167088
N-(4-morpholin-4-ylphenyl)-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide
CID 117084517
5-morpholin-4-yl-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109184886
N-(4-morpholin-4-ylphenyl)-4-[3-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]-1,3-thiazole-2-carboxamide
CID 25165292
3-methyl-6-(3-morpholin-4-ylphenyl)-N-phenylpyrazine-2-carboxamide
CID 91110077

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-5-phenylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-5-phenylthieno[2,3-b]pyridine-2-carboxamide (CID 155288065) is N-(4-morpholin-4-ylphenyl)-5-phenylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-5-phenylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-5-phenylthieno[2,3-b]pyridine-2-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1)c1cc2cc(-c3ccccc3)cnc2s1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-5-phenylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is KWWLLKDZPXKHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c28-23(26-20-6-8-21(9-7-20)27-10-12-29-13-11-27)22-15-18-14-19(16-25-24(18)30-22)17-4-2-1-3-5-17/h1-9,14-16H,10-13H2,(H,26,28).
What are the key properties of N-(4-morpholin-4-ylphenyl)-5-phenylthieno[2,3-b]pyridine-2-carboxamide?
N-(4-morpholin-4-ylphenyl)-5-phenylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-5-phenylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 155288065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).