N,N-dimethyl-3-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

C25H27N3O3S — CID 110130514

IUPACN,N-dimethyl-3-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1sc2ncccc2c1C1CN(C(=O)c2ccc3c(c2)CCCC3)CCO1
InChIInChI=1S/C25H27N3O3S/c1-27(2)25(30)22-21(19-8-5-11-26-23(19)32-22)20-15-28(12-13-31-20)24(29)18-10-9-16-6-3-4-7-17(16)14-18/h5,8-11,14,20H,3-4,6-7,12-13,15H2,1-2H3
InChIKeyCQGWUGYIEGWYMR-UHFFFAOYSA-N
MW449.58 g/mol
LogP4.09
Rot. Bonds3

About N,N-dimethyl-3-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

N,N-dimethyl-3-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 110130514) has the molecular formula C25H27N3O3S and a molecular weight of 449.58 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID110130514
Molecular FormulaC25H27N3O3S
Molecular Weight449.58 g/mol
Exact Mass449.18
IUPAC NameN,N-dimethyl-3-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1sc2ncccc2c1C1CN(C(=O)c2ccc3c(c2)CCCC3)CCO1
InChIInChI=1S/C25H27N3O3S/c1-27(2)25(30)22-21(19-8-5-11-26-23(19)32-22)20-15-28(12-13-31-20)24(29)18-10-9-16-6-3-4-7-17(16)14-18/h5,8-11,14,20H,3-4,6-7,12-13,15H2,1-2H3
InChIKeyCQGWUGYIEGWYMR-UHFFFAOYSA-N
XLogP4.09
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 127248417
N,N-dimethyl-3-(4-pyrrolidin-1-ylsulfonylmorpholin-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 127248376
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-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
[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 124968695
N,N-dimethyl-3-[(2S)-morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 95804236
3-[(2R)-4-[(1-acetylindol-3-yl)methyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 125003964
2,3-dihydro-1H-inden-5-yl-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone
CID 125019087
2,3-dihydro-1H-inden-5-yl-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 124988304
2,3-dihydro-1H-inden-5-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone
CID 124983075
[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 124987078

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N,N-dimethyl-3-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 110130514) is N,N-dimethyl-3-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-3-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide is CN(C)C(=O)c1sc2ncccc2c1C1CN(C(=O)c2ccc3c(c2)CCCC3)CCO1.
What is the InChIKey of N,N-dimethyl-3-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is CQGWUGYIEGWYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3S/c1-27(2)25(30)22-21(19-8-5-11-26-23(19)32-22)20-15-28(12-13-31-20)24(29)18-10-9-16-6-3-4-7-17(16)14-18/h5,8-11,14,20H,3-4,6-7,12-13,15H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
N,N-dimethyl-3-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 449.58 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 110130514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).