2-(2-methylbutylamino)-1-[4-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone

C20H27N3OS — CID 71726792

IUPAC2-(2-methylbutylamino)-1-[4-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
SMILESCCC(C)CNCC(=O)N1CCc2sccc2C1c1cccc(C)n1
InChIInChI=1S/C20H27N3OS/c1-4-14(2)12-21-13-19(24)23-10-8-18-16(9-11-25-18)20(23)17-7-5-6-15(3)22-17/h5-7,9,11,14,20-21H,4,8,10,12-13H2,1-3H3
InChIKeyKYOIGHSNTIJBPW-UHFFFAOYSA-N
MW357.52 g/mol
LogP3.56
Rot. Bonds6

About 2-(2-methylbutylamino)-1-[4-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone

2-(2-methylbutylamino)-1-[4-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone (PubChem CID 71726792) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is 2-(2-methylbutylamino)-1-[4-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-(2-methylbutylamino)-1-[4-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
PubChem CID71726792
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name2-(2-methylbutylamino)-1-[4-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
SMILESCCC(C)CNCC(=O)N1CCc2sccc2C1c1cccc(C)n1
InChIInChI=1S/C20H27N3OS/c1-4-14(2)12-21-13-19(24)23-10-8-18-16(9-11-25-18)20(23)17-7-5-6-15(3)22-17/h5-7,9,11,14,20-21H,4,8,10,12-13H2,1-3H3
InChIKeyKYOIGHSNTIJBPW-UHFFFAOYSA-N
XLogP3.56
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-methylbutylamino)-1-[4-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone with MolForge

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Related Compounds

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1-(3,3-dimethyl-6-thiophen-3-yl-2H-pyrrolo[3,2-c]pyridin-1-yl)-2-[(2R,5R)-2-(methoxymethyl)-5-methylpiperazin-1-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutylamino)-1-[4-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
The IUPAC name of 2-(2-methylbutylamino)-1-[4-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone (CID 71726792) is 2-(2-methylbutylamino)-1-[4-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-(2-methylbutylamino)-1-[4-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
The canonical SMILES for 2-(2-methylbutylamino)-1-[4-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone is CCC(C)CNCC(=O)N1CCc2sccc2C1c1cccc(C)n1.
What is the InChIKey of 2-(2-methylbutylamino)-1-[4-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
The InChIKey is KYOIGHSNTIJBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-4-14(2)12-21-13-19(24)23-10-8-18-16(9-11-25-18)20(23)17-7-5-6-15(3)22-17/h5-7,9,11,14,20-21H,4,8,10,12-13H2,1-3H3.
What are the key properties of 2-(2-methylbutylamino)-1-[4-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
2-(2-methylbutylamino)-1-[4-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone has a molecular weight of 357.52 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutylamino)-1-[4-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 71726792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).