5-[4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide

C24H28N4O3S — CID 25124143

IUPAC5-[4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCC(C)(O)c1ccc(-c2cc(C(N)=O)c(Nc3cccc(CN4CCOCC4)n3)s2)cc1
InChIInChI=1S/C24H28N4O3S/c1-24(2,30)17-8-6-16(7-9-17)20-14-19(22(25)29)23(32-20)27-21-5-3-4-18(26-21)15-28-10-12-31-13-11-28/h3-9,14,30H,10-13,15H2,1-2H3,(H2,25,29)(H,26,27)
InChIKeyBCMDTOXGFFLULX-UHFFFAOYSA-N
MW452.58 g/mol
LogP3.71
Rot. Bonds7

About 5-[4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide

5-[4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide (PubChem CID 25124143) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is 5-[4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
PubChem CID25124143
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC Name5-[4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCC(C)(O)c1ccc(-c2cc(C(N)=O)c(Nc3cccc(CN4CCOCC4)n3)s2)cc1
InChIInChI=1S/C24H28N4O3S/c1-24(2,30)17-8-6-16(7-9-17)20-14-19(22(25)29)23(32-20)27-21-5-3-4-18(26-21)15-28-10-12-31-13-11-28/h3-9,14,30H,10-13,15H2,1-2H3,(H2,25,29)(H,26,27)
InChIKeyBCMDTOXGFFLULX-UHFFFAOYSA-N
XLogP3.71
TPSA100.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2,6-Difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-({6-[(2-hydroxy-2-methylpropoxy)methyl]pyridin-2-yl}amino)thiophene-3-carboxamide
CID 25110598
5-(2-Fluorophenyl)-2-{[6-(morpholin-4-ylmethyl)pyridin-2-yl]-amino}thiophene-3-carboxamide
CID 25123487
5-[2,6-Difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide
CID 25123163
5-[2,6-Difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-phenyl-2-pyridinyl)amino]thiophene-3-carboxamide
CID 25123166
6-({3-(Aminocarbonyl)-5-[2-fluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-thienyl}amino)pyridine-2-carboxylic acid
CID 25123167
5-[2,6-Difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 25123484
5-(2-Fluoro-4-(1-hydroxy-1-methylethyl)phenyl)-2-((6-(hydroxymethyl)-2-pyridinyl)amino)-3-thiophenecarboxamide
CID 25123485
5-[2,6-Difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-[(6-{[(2-hydroxy-1,2-dimethylpropyl)amino]methyl}pyridin-2-yl)amino]thiophene-3-carboxamide
CID 25123488
5-[2,6-Difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-[(6-{[(3S)-3-methylmorpholin-4-yl]methyl}pyridin-2-yl)amino]thiophene-3-carboxamide
CID 25123815
2-[[6-(Morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-(2,4,6-trifluorophenyl)thiophene-3-carboxamide
CID 25124142
5-(2,6-Difluoro-4-morpholin-4-ylphenyl)-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 25125150
5-(4-Fluorophenyl)-2-[[6-[(4-hydroxypiperidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
CID 25125152

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The IUPAC name of 5-[4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide (CID 25124143) is 5-[4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-[4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 5-[4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide is CC(C)(O)c1ccc(-c2cc(C(N)=O)c(Nc3cccc(CN4CCOCC4)n3)s2)cc1.
What is the InChIKey of 5-[4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The InChIKey is BCMDTOXGFFLULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-24(2,30)17-8-6-16(7-9-17)20-14-19(22(25)29)23(32-20)27-21-5-3-4-18(26-21)15-28-10-12-31-13-11-28/h3-9,14,30H,10-13,15H2,1-2H3,(H2,25,29)(H,26,27).
What are the key properties of 5-[4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide?
5-[4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide has a molecular weight of 452.58 g/mol, XLogP of 3.71, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 25124143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).