6-[[2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-methylamino]pyridine-3-carbonitrile

C18H20N4OS — CID 95580804

IUPAC6-[[2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-methylamino]pyridine-3-carbonitrile
SMILESCC[C@H]1c2ccsc2CCN1C(=O)CN(C)c1ccc(C#N)cn1
InChIInChI=1S/C18H20N4OS/c1-3-15-14-7-9-24-16(14)6-8-22(15)18(23)12-21(2)17-5-4-13(10-19)11-20-17/h4-5,7,9,11,15H,3,6,8,12H2,1-2H3/t15-/m0/s1
InChIKeyAXDIVFDLRKAGHM-HNNXBMFYSA-N
MW340.45 g/mol
LogP2.99
Rot. Bonds4

About 6-[[2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-methylamino]pyridine-3-carbonitrile

6-[[2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-methylamino]pyridine-3-carbonitrile (PubChem CID 95580804) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 6-[[2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-methylamino]pyridine-3-carbonitrile
PubChem CID95580804
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name6-[[2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-methylamino]pyridine-3-carbonitrile
SMILESCC[C@H]1c2ccsc2CCN1C(=O)CN(C)c1ccc(C#N)cn1
InChIInChI=1S/C18H20N4OS/c1-3-15-14-7-9-24-16(14)6-8-22(15)18(23)12-21(2)17-5-4-13(10-19)11-20-17/h4-5,7,9,11,15H,3,6,8,12H2,1-2H3/t15-/m0/s1
InChIKeyAXDIVFDLRKAGHM-HNNXBMFYSA-N
XLogP2.99
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[2-(2,4-dimethylpiperazin-1-yl)-2-oxoethyl]-methylamino]pyridine-3-carbonitrile
CID 71877355
1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-6-oxopyridine-3-carbonitrile
CID 136548222
6-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]pyridine-3-carbonitrile
CID 47359929
1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]imidazole-4,5-dicarbonitrile
CID 86794613
2-[[(2R)-butan-2-yl]-[2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]amino]acetic acid
CID 124684678
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119731903
3-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119294012
N-butan-2-yl-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide
CID 46011280
2-(tert-butylamino)-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 112723931
6-amino-1-butyl-5-[[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]pyrimidine-2,4-dione
CID 78834966
N-[(2S)-butan-2-yl]-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide
CID 93169175
(2S)-1-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-methylbutan-1-one
CID 94822699

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-methylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-methylamino]pyridine-3-carbonitrile (CID 95580804) is 6-[[2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-methylamino]pyridine-3-carbonitrile is CC[C@H]1c2ccsc2CCN1C(=O)CN(C)c1ccc(C#N)cn1.
What is the InChIKey of 6-[[2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-methylamino]pyridine-3-carbonitrile?
The InChIKey is AXDIVFDLRKAGHM-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-3-15-14-7-9-24-16(14)6-8-22(15)18(23)12-21(2)17-5-4-13(10-19)11-20-17/h4-5,7,9,11,15H,3,6,8,12H2,1-2H3/t15-/m0/s1.
What are the key properties of 6-[[2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-methylamino]pyridine-3-carbonitrile?
6-[[2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-methylamino]pyridine-3-carbonitrile has a molecular weight of 340.45 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 95580804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).