N-(2,3-dimethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide

C21H23N3OS — CID 46396524

IUPACN-(2,3-dimethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN(c3nccc4sccc34)C2)c1C
InChIInChI=1S/C21H23N3OS/c1-14-5-3-7-18(15(14)2)23-21(25)16-6-4-11-24(13-16)20-17-9-12-26-19(17)8-10-22-20/h3,5,7-10,12,16H,4,6,11,13H2,1-2H3,(H,23,25)
InChIKeyZRFAGWQBPMOPKZ-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.77
Rot. Bonds3

About N-(2,3-dimethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide

N-(2,3-dimethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide (PubChem CID 46396524) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
PubChem CID46396524
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC NameN-(2,3-dimethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN(c3nccc4sccc34)C2)c1C
InChIInChI=1S/C21H23N3OS/c1-14-5-3-7-18(15(14)2)23-21(25)16-6-4-11-24(13-16)20-17-9-12-26-19(17)8-10-22-20/h3,5,7-10,12,16H,4,6,11,13H2,1-2H3,(H,23,25)
InChIKeyZRFAGWQBPMOPKZ-UHFFFAOYSA-N
XLogP4.77
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(3,4-dimethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 92885123
(3R)-N-(3-ethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 92885146
N-(2,3-dimethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221264
N-(2,3-dimethylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223387
N-(3,4-difluorophenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 46396555
1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 172899862
[4-(2-methylphenyl)piperazin-1-yl]-[(3S)-1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl]methanone
CID 92885175
(3R)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 92899043
(3S)-N-[(4-ethylphenyl)methyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 92899054
N-(2,3-dimethylphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 50793221
(3S)-N-(2,3-dimethylphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 92891762
(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)-thiomorpholin-4-ylmethanone
CID 163346136

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide (CID 46396524) is N-(2,3-dimethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide is Cc1cccc(NC(=O)C2CCCN(c3nccc4sccc34)C2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide?
The InChIKey is ZRFAGWQBPMOPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-14-5-3-7-18(15(14)2)23-21(25)16-6-4-11-24(13-16)20-17-9-12-26-19(17)8-10-22-20/h3,5,7-10,12,16H,4,6,11,13H2,1-2H3,(H,23,25).
What are the key properties of N-(2,3-dimethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide?
N-(2,3-dimethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide is sourced from PubChem (CID 46396524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).