3-[1-(2-fluorobenzoyl)piperidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide

C22H22FN3O2S — CID 110109938

IUPAC3-[1-(2-fluorobenzoyl)piperidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1sc2ncccc2c1C1CCCN(C(=O)c2ccccc2F)C1
InChIInChI=1S/C22H22FN3O2S/c1-25(2)22(28)19-18(16-9-5-11-24-20(16)29-19)14-7-6-12-26(13-14)21(27)15-8-3-4-10-17(15)23/h3-5,8-11,14H,6-7,12-13H2,1-2H3
InChIKeyBTOWPZPSVLACAV-UHFFFAOYSA-N
MW411.50 g/mol
LogP4.16
Rot. Bonds3

About 3-[1-(2-fluorobenzoyl)piperidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide

3-[1-(2-fluorobenzoyl)piperidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 110109938) has the molecular formula C22H22FN3O2S and a molecular weight of 411.50 g/mol. Its IUPAC name is 3-[1-(2-fluorobenzoyl)piperidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[1-(2-fluorobenzoyl)piperidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID110109938
Molecular FormulaC22H22FN3O2S
Molecular Weight411.50 g/mol
Exact Mass411.14
IUPAC Name3-[1-(2-fluorobenzoyl)piperidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1sc2ncccc2c1C1CCCN(C(=O)c2ccccc2F)C1
InChIInChI=1S/C22H22FN3O2S/c1-25(2)22(28)19-18(16-9-5-11-24-20(16)29-19)14-7-6-12-26(13-14)21(27)15-8-3-4-10-17(15)23/h3-5,8-11,14H,6-7,12-13H2,1-2H3
InChIKeyBTOWPZPSVLACAV-UHFFFAOYSA-N
XLogP4.16
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-[(3S)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 124942891
3-[(3S)-1-(pyridine-2-carbonyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 124999763
3-[1-[2-(benzotriazol-1-yl)acetyl]pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 110130504
N,N-dimethyl-3-[(3S)-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 124944215
N,N-dimethyl-7-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide
CID 125027316
N,N-dimethyl-3-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 110090980
N,N-dimethyl-3-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 110091015
3-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 110130484
3-(1-methylsulfonylpiperidin-3-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 132777127
3-(1-benzoylpyrrolidin-3-yl)-N-(2-methoxyethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 127248233
7-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyrazine-6-carboxamide
CID 125019653
N,N-dimethyl-3-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 127248331

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluorobenzoyl)piperidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-[1-(2-fluorobenzoyl)piperidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide (CID 110109938) is 3-[1-(2-fluorobenzoyl)piperidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-[1-(2-fluorobenzoyl)piperidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-[1-(2-fluorobenzoyl)piperidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide is CN(C)C(=O)c1sc2ncccc2c1C1CCCN(C(=O)c2ccccc2F)C1.
What is the InChIKey of 3-[1-(2-fluorobenzoyl)piperidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is BTOWPZPSVLACAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2S/c1-25(2)22(28)19-18(16-9-5-11-24-20(16)29-19)14-7-6-12-26(13-14)21(27)15-8-3-4-10-17(15)23/h3-5,8-11,14H,6-7,12-13H2,1-2H3.
What are the key properties of 3-[1-(2-fluorobenzoyl)piperidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide?
3-[1-(2-fluorobenzoyl)piperidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 411.50 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluorobenzoyl)piperidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 110109938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).