3-[4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide

C23H24FN3O3S — CID 127248417

IUPAC3-[4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1sc2ncccc2c1C1CN(C(=O)CCc2ccc(F)cc2)CCO1
InChIInChI=1S/C23H24FN3O3S/c1-26(2)23(29)21-20(17-4-3-11-25-22(17)31-21)18-14-27(12-13-30-18)19(28)10-7-15-5-8-16(24)9-6-15/h3-6,8-9,11,18H,7,10,12-14H2,1-2H3
InChIKeyHHJKWNUSJQDIHJ-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.67
Rot. Bonds5

About 3-[4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide

3-[4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 127248417) has the molecular formula C23H24FN3O3S and a molecular weight of 441.53 g/mol. Its IUPAC name is 3-[4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID127248417
Molecular FormulaC23H24FN3O3S
Molecular Weight441.53 g/mol
Exact Mass441.15
IUPAC Name3-[4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1sc2ncccc2c1C1CN(C(=O)CCc2ccc(F)cc2)CCO1
InChIInChI=1S/C23H24FN3O3S/c1-26(2)23(29)21-20(17-4-3-11-25-22(17)31-21)18-14-27(12-13-30-18)19(28)10-7-15-5-8-16(24)9-6-15/h3-6,8-9,11,18H,7,10,12-14H2,1-2H3
InChIKeyHHJKWNUSJQDIHJ-UHFFFAOYSA-N
XLogP3.67
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-3-[4-(4-pyridin-2-ylbutanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 127248387
N,N-dimethyl-3-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 110130514
2-[(2S)-4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylquinoline-4-carboxamide
CID 95812989
N,N-dimethyl-3-(4-pyrrolidin-1-ylsulfonylmorpholin-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 127248376
N,N-dimethyl-3-(4-morpholin-4-ylsulfonylmorpholin-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 110130529
3-[4-(benzenesulfonyl)morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 110130525
N,N-dimethyl-3-[(2S)-morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 95804236
N-propan-2-yl-3-[(2S)-4-(2-propan-2-yloxyacetyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 129360930
3-[(2R)-4-(3-methylbutanoyl)morpholin-2-yl]-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 129360940
3-[(2R)-4-[(1-acetylindol-3-yl)methyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 125003964
3-[(2R)-4-(2-acetamidoacetyl)morpholin-2-yl]-N,N-dimethyl-1-benzothiophene-2-carboxamide
CID 92618942
N,N-dimethyl-3-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 110091015

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-[4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide (CID 127248417) is 3-[4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-[4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-[4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide is CN(C)C(=O)c1sc2ncccc2c1C1CN(C(=O)CCc2ccc(F)cc2)CCO1.
What is the InChIKey of 3-[4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is HHJKWNUSJQDIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3S/c1-26(2)23(29)21-20(17-4-3-11-25-22(17)31-21)18-14-27(12-13-30-18)19(28)10-7-15-5-8-16(24)9-6-15/h3-6,8-9,11,18H,7,10,12-14H2,1-2H3.
What are the key properties of 3-[4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide?
3-[4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 441.53 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 127248417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).