4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxobutanamide

C21H26N4O3S — CID 55871262

IUPAC4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxobutanamide
SMILESO=C(CCC(=O)N1CCc2sccc2C1)NCc1cccnc1N1CCOCC1
InChIInChI=1S/C21H26N4O3S/c26-19(3-4-20(27)25-8-5-18-17(15-25)6-13-29-18)23-14-16-2-1-7-22-21(16)24-9-11-28-12-10-24/h1-2,6-7,13H,3-5,8-12,14-15H2,(H,23,26)
InChIKeyLMJOCHXWQHYBHK-UHFFFAOYSA-N
MW414.53 g/mol
LogP1.96
Rot. Bonds6

About 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxobutanamide

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxobutanamide (PubChem CID 55871262) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxobutanamide
PubChem CID55871262
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxobutanamide
SMILESO=C(CCC(=O)N1CCc2sccc2C1)NCc1cccnc1N1CCOCC1
InChIInChI=1S/C21H26N4O3S/c26-19(3-4-20(27)25-8-5-18-17(15-25)6-13-29-18)23-14-16-2-1-7-22-21(16)24-9-11-28-12-10-24/h1-2,6-7,13H,3-5,8-12,14-15H2,(H,23,26)
InChIKeyLMJOCHXWQHYBHK-UHFFFAOYSA-N
XLogP1.96
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxobutanamide
CID 56518355
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-oxobutanamide
CID 55871272
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxobutanamide
CID 55873217
N-[(3-chlorophenyl)methyl]-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide
CID 55884421
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]butane-1,4-dione
CID 55870828
4-(4-methylphenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxobutanamide
CID 39248691
N-(2-aminoethyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide
CID 119384096
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-phenoxybutanamide
CID 37491143
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4-oxobutanamide
CID 55872768
N'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]pyridine-3-carbohydrazide
CID 55872031
N-(3-aminopropyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide;hydrochloride
CID 119407293
1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 47226420

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxobutanamide?
The IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxobutanamide (CID 55871262) is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxobutanamide.
What is the SMILES notation for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxobutanamide?
The canonical SMILES for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxobutanamide is O=C(CCC(=O)N1CCc2sccc2C1)NCc1cccnc1N1CCOCC1.
What is the InChIKey of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxobutanamide?
The InChIKey is LMJOCHXWQHYBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S/c26-19(3-4-20(27)25-8-5-18-17(15-25)6-13-29-18)23-14-16-2-1-7-22-21(16)24-9-11-28-12-10-24/h1-2,6-7,13H,3-5,8-12,14-15H2,(H,23,26).
What are the key properties of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxobutanamide?
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxobutanamide has a molecular weight of 414.53 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxobutanamide is sourced from PubChem (CID 55871262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).