N,N-dimethyl-3-[4-(4-pyridin-2-ylbutanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

C23H26N4O3S — CID 127248387

IUPACN,N-dimethyl-3-[4-(4-pyridin-2-ylbutanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1sc2ncccc2c1C1CN(C(=O)CCCc2ccccn2)CCO1
InChIInChI=1S/C23H26N4O3S/c1-26(2)23(29)21-20(17-9-6-12-25-22(17)31-21)18-15-27(13-14-30-18)19(28)10-5-8-16-7-3-4-11-24-16/h3-4,6-7,9,11-12,18H,5,8,10,13-15H2,1-2H3
InChIKeyGRVFRUSOHXZVBT-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.32
Rot. Bonds6

About N,N-dimethyl-3-[4-(4-pyridin-2-ylbutanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

N,N-dimethyl-3-[4-(4-pyridin-2-ylbutanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 127248387) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-(4-pyridin-2-ylbutanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-(4-pyridin-2-ylbutanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID127248387
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC NameN,N-dimethyl-3-[4-(4-pyridin-2-ylbutanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1sc2ncccc2c1C1CN(C(=O)CCCc2ccccn2)CCO1
InChIInChI=1S/C23H26N4O3S/c1-26(2)23(29)21-20(17-9-6-12-25-22(17)31-21)18-15-27(13-14-30-18)19(28)10-5-8-16-7-3-4-11-24-16/h3-4,6-7,9,11-12,18H,5,8,10,13-15H2,1-2H3
InChIKeyGRVFRUSOHXZVBT-UHFFFAOYSA-N
XLogP3.32
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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
3-[4-(benzenesulfonyl)morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 110130525
N,N-dimethyl-3-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 110130514
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-[(2R)-4-[(1-acetylindol-3-yl)methyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 125003964
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
N,N-dimethyl-3-[(2S)-morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 95804236
3-[(2R)-4-(2-acetamidoacetyl)morpholin-2-yl]-N,N-dimethyl-1-benzothiophene-2-carboxamide
CID 92618942
N,N-dimethyl-2-[(2S)-4-(2-pyridin-2-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide
CID 95812995
3-[1-[2-(benzotriazol-1-yl)acetyl]pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 110130504

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-(4-pyridin-2-ylbutanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N,N-dimethyl-3-[4-(4-pyridin-2-ylbutanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 127248387) is N,N-dimethyl-3-[4-(4-pyridin-2-ylbutanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-[4-(4-pyridin-2-ylbutanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-3-[4-(4-pyridin-2-ylbutanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide is CN(C)C(=O)c1sc2ncccc2c1C1CN(C(=O)CCCc2ccccn2)CCO1.
What is the InChIKey of N,N-dimethyl-3-[4-(4-pyridin-2-ylbutanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is GRVFRUSOHXZVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-26(2)23(29)21-20(17-9-6-12-25-22(17)31-21)18-15-27(13-14-30-18)19(28)10-5-8-16-7-3-4-11-24-16/h3-4,6-7,9,11-12,18H,5,8,10,13-15H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[4-(4-pyridin-2-ylbutanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
N,N-dimethyl-3-[4-(4-pyridin-2-ylbutanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-(4-pyridin-2-ylbutanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 127248387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).