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

C17H28N4OS — CID 95152579

IUPACN-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCCN1CCN([C@H](C)CNC(=O)N2CCc3sccc3C2)CC1
InChIInChI=1S/C17H28N4OS/c1-3-19-7-9-20(10-8-19)14(2)12-18-17(22)21-6-4-16-15(13-21)5-11-23-16/h5,11,14H,3-4,6-10,12-13H2,1-2H3,(H,18,22)/t14-/m1/s1
InChIKeyULUXOLPIWSUPMH-CQSZACIVSA-N
MW336.51 g/mol
LogP1.84
Rot. Bonds4

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

N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 95152579) has the molecular formula C17H28N4OS and a molecular weight of 336.51 g/mol. Its IUPAC name is N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID95152579
Molecular FormulaC17H28N4OS
Molecular Weight336.51 g/mol
Exact Mass336.20
IUPAC NameN-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCCN1CCN([C@H](C)CNC(=O)N2CCc3sccc3C2)CC1
InChIInChI=1S/C17H28N4OS/c1-3-19-7-9-20(10-8-19)14(2)12-18-17(22)21-6-4-16-15(13-21)5-11-23-16/h5,11,14H,3-4,6-10,12-13H2,1-2H3,(H,18,22)/t14-/m1/s1
InChIKeyULUXOLPIWSUPMH-CQSZACIVSA-N
XLogP1.84
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.51
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide with MolForge

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Related Compounds

N-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 98718269
3-[(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)methyl]pentanoic acid
CID 81072300
4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N-ethylpiperazine-1-carboxamide
CID 86915991
N-(3-acetamidopropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 51077213
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 25116648
N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methoxyacetamide
CID 94095217
3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173453
2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)-3-hydroxybutanoic acid
CID 61187266
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111454576
ethyl 4-[N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-N'-methylcarbamimidoyl]piperazine-1-carboxylate
CID 111164307
N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-5-ethylthiophene-2-carboxamide
CID 51729385
2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)-2-methylpropanoic acid
CID 61264376

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 95152579) is N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is CCN1CCN([C@H](C)CNC(=O)N2CCc3sccc3C2)CC1.
What is the InChIKey of N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is ULUXOLPIWSUPMH-CQSZACIVSA-N. The full InChI is InChI=1S/C17H28N4OS/c1-3-19-7-9-20(10-8-19)14(2)12-18-17(22)21-6-4-16-15(13-21)5-11-23-16/h5,11,14H,3-4,6-10,12-13H2,1-2H3,(H,18,22)/t14-/m1/s1.
What are the key properties of N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 336.51 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 95152579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).