2-[4-[6-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]-3-methyl-2-pyridinyl]piperazin-1-yl]acetamide

C21H28N6O2S — CID 171491849

IUPAC2-[4-[6-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]-3-methyl-2-pyridinyl]piperazin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCc3sccc3C2)nc1N1CCN(CC(N)=O)CC1
InChIInChI=1S/C21H28N6O2S/c1-15-2-3-19(24-21(15)27-9-7-25(8-10-27)13-18(22)28)23-20(29)14-26-6-4-17-16(12-26)5-11-30-17/h2-3,5,11H,4,6-10,12-14H2,1H3,(H2,22,28)(H,23,24,29)
InChIKeyHFAWIPXITWSCHC-UHFFFAOYSA-N
MW428.56 g/mol
LogP1.06
Rot. Bonds6

About 2-[4-[6-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]-3-methyl-2-pyridinyl]piperazin-1-yl]acetamide

2-[4-[6-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]-3-methyl-2-pyridinyl]piperazin-1-yl]acetamide (PubChem CID 171491849) has the molecular formula C21H28N6O2S and a molecular weight of 428.56 g/mol. Its IUPAC name is 2-[4-[6-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]-3-methyl-2-pyridinyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[6-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]-3-methyl-2-pyridinyl]piperazin-1-yl]acetamide
PubChem CID171491849
Molecular FormulaC21H28N6O2S
Molecular Weight428.56 g/mol
Exact Mass428.20
IUPAC Name2-[4-[6-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]-3-methyl-2-pyridinyl]piperazin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCc3sccc3C2)nc1N1CCN(CC(N)=O)CC1
InChIInChI=1S/C21H28N6O2S/c1-15-2-3-19(24-21(15)27-9-7-25(8-10-27)13-18(22)28)23-20(29)14-26-6-4-17-16(12-26)5-11-30-17/h2-3,5,11H,4,6-10,12-14H2,1H3,(H2,22,28)(H,23,24,29)
InChIKeyHFAWIPXITWSCHC-UHFFFAOYSA-N
XLogP1.06
TPSA94.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 47034364
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 41361454
N-[4-(diethylamino)phenyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 18137887
N-(2-chloro-4,6-dimethylphenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 18137943
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 46690281
N-[4-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]phenyl]-3-methylbutanamide
CID 60563640
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-fluorophenyl)acetamide
CID 17497850
N-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 18008469
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 51476386
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-piperidin-1-ylphenyl)acetamide
CID 60560848
N-(4-amino-2-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 43375514
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(3-methoxyphenyl)acetamide
CID 18137878

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]-3-methyl-2-pyridinyl]piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-[6-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]-3-methyl-2-pyridinyl]piperazin-1-yl]acetamide (CID 171491849) is 2-[4-[6-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]-3-methyl-2-pyridinyl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[6-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]-3-methyl-2-pyridinyl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-[6-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]-3-methyl-2-pyridinyl]piperazin-1-yl]acetamide is Cc1ccc(NC(=O)CN2CCc3sccc3C2)nc1N1CCN(CC(N)=O)CC1.
What is the InChIKey of 2-[4-[6-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]-3-methyl-2-pyridinyl]piperazin-1-yl]acetamide?
The InChIKey is HFAWIPXITWSCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2S/c1-15-2-3-19(24-21(15)27-9-7-25(8-10-27)13-18(22)28)23-20(29)14-26-6-4-17-16(12-26)5-11-30-17/h2-3,5,11H,4,6-10,12-14H2,1H3,(H2,22,28)(H,23,24,29).
What are the key properties of 2-[4-[6-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]-3-methyl-2-pyridinyl]piperazin-1-yl]acetamide?
2-[4-[6-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]-3-methyl-2-pyridinyl]piperazin-1-yl]acetamide has a molecular weight of 428.56 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]-3-methyl-2-pyridinyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 171491849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).