N-[3-(1,3-benzodioxol-4-yl)-2-(dimethylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C20H25N3O3S — CID 175124737

IUPACN-[3-(1,3-benzodioxol-4-yl)-2-(dimethylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCN(C)C(CNC(=O)N1CCc2sccc2C1)Cc1cccc2c1OCO2
InChIInChI=1S/C20H25N3O3S/c1-22(2)16(10-14-4-3-5-17-19(14)26-13-25-17)11-21-20(24)23-8-6-18-15(12-23)7-9-27-18/h3-5,7,9,16H,6,8,10-13H2,1-2H3,(H,21,24)
InChIKeySNWGGYXLTBIAPA-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.72
Rot. Bonds5

About N-[3-(1,3-benzodioxol-4-yl)-2-(dimethylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

N-[3-(1,3-benzodioxol-4-yl)-2-(dimethylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 175124737) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[3-(1,3-benzodioxol-4-yl)-2-(dimethylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-benzodioxol-4-yl)-2-(dimethylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID175124737
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-[3-(1,3-benzodioxol-4-yl)-2-(dimethylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCN(C)C(CNC(=O)N1CCc2sccc2C1)Cc1cccc2c1OCO2
InChIInChI=1S/C20H25N3O3S/c1-22(2)16(10-14-4-3-5-17-19(14)26-13-25-17)11-21-20(24)23-8-6-18-15(12-23)7-9-27-18/h3-5,7,9,16H,6,8,10-13H2,1-2H3,(H,21,24)
InChIKeySNWGGYXLTBIAPA-UHFFFAOYSA-N
XLogP2.72
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-3-(1,3-benzodioxol-4-yl)-2-(dimethylamino)propyl]-3-[(3-hydroxyphenyl)methyl]urea
CID 175751387
1-[(2S)-3-(1,3-benzodioxol-4-yl)-2-(dimethylamino)propyl]-3-[(4-hydroxyphenyl)methyl]urea
CID 175751380
1-[(2S)-3-(1,3-benzodioxol-4-yl)-2-(dimethylamino)propyl]-3-[(2-fluorophenyl)methyl]urea
CID 175751382
3-[(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)methyl]pentanoic acid
CID 81072300
N-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 98718269
N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 95152579
N-(3-acetamidopropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 51077213
3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173453
N-[2-(pyrimidin-2-ylamino)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 51084885
N-[(2S)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-methylpropanamide
CID 52876316
N-[(1-phenylcyclopropyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 18144092
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methoxypropan-1-one
CID 115588170

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzodioxol-4-yl)-2-(dimethylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-[3-(1,3-benzodioxol-4-yl)-2-(dimethylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 175124737) is N-[3-(1,3-benzodioxol-4-yl)-2-(dimethylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[3-(1,3-benzodioxol-4-yl)-2-(dimethylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-[3-(1,3-benzodioxol-4-yl)-2-(dimethylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is CN(C)C(CNC(=O)N1CCc2sccc2C1)Cc1cccc2c1OCO2.
What is the InChIKey of N-[3-(1,3-benzodioxol-4-yl)-2-(dimethylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is SNWGGYXLTBIAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-22(2)16(10-14-4-3-5-17-19(14)26-13-25-17)11-21-20(24)23-8-6-18-15(12-23)7-9-27-18/h3-5,7,9,16H,6,8,10-13H2,1-2H3,(H,21,24).
What are the key properties of N-[3-(1,3-benzodioxol-4-yl)-2-(dimethylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-[3-(1,3-benzodioxol-4-yl)-2-(dimethylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzodioxol-4-yl)-2-(dimethylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 175124737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).