N-(3-cyano-6-hydroxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pyridin-2-ylpropanamide

C17H17N3O2S — CID 66942118

IUPACN-(3-cyano-6-hydroxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pyridin-2-ylpropanamide
SMILESN#Cc1c(NC(=O)CCc2ccccn2)sc2c1CCC(O)C2
InChIInChI=1S/C17H17N3O2S/c18-10-14-13-6-5-12(21)9-15(13)23-17(14)20-16(22)7-4-11-3-1-2-8-19-11/h1-3,8,12,21H,4-7,9H2,(H,20,22)
InChIKeyGBRMPNNEBBBVHX-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.44
Rot. Bonds4

About N-(3-cyano-6-hydroxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pyridin-2-ylpropanamide

N-(3-cyano-6-hydroxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pyridin-2-ylpropanamide (PubChem CID 66942118) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(3-cyano-6-hydroxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-(3-cyano-6-hydroxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pyridin-2-ylpropanamide
PubChem CID66942118
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-(3-cyano-6-hydroxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pyridin-2-ylpropanamide
SMILESN#Cc1c(NC(=O)CCc2ccccn2)sc2c1CCC(O)C2
InChIInChI=1S/C17H17N3O2S/c18-10-14-13-6-5-12(21)9-15(13)23-17(14)20-16(22)7-4-11-3-1-2-8-19-11/h1-3,8,12,21H,4-7,9H2,(H,20,22)
InChIKeyGBRMPNNEBBBVHX-UHFFFAOYSA-N
XLogP2.44
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-cyano-6-hydroxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pyridin-2-ylpropanamide with MolForge

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Related Compounds

N-(3-cyano-6-hydroxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-ethoxyphenyl)propanamide
CID 58152455
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-pyridin-2-ylacetamide
CID 43599763
N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-phenylpropanamide
CID 903123
(E)-N-(3-cyano-6-hydroxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylprop-2-enamide
CID 66942424
N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 51653507
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-phenylbutanamide
CID 3450918
(3R)-N-[3-cyano-6-(3-pyridin-2-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylbutanamide
CID 11993445
2-chloro-N-[(6R)-3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide
CID 95970180
2-(4-methylimidazol-1-yl)ethyl 3-cyano-2-(3-pyridin-2-ylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 59301496
[3-cyano-2-(3-thiophen-3-ylprop-2-enoylamino)-4,5,6,7-tetrahydro-1-benzothiophen-6-yl] N-(pyridin-2-ylmethyl)carbamate
CID 66944316
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-pyridin-2-ylsulfanylacetamide
CID 684871
[3-cyano-2-[3-(2-ethoxyphenyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophen-6-yl] N-methyl-N-pyridin-2-ylcarbamate
CID 66942002

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-6-hydroxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pyridin-2-ylpropanamide?
The IUPAC name of N-(3-cyano-6-hydroxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pyridin-2-ylpropanamide (CID 66942118) is N-(3-cyano-6-hydroxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-(3-cyano-6-hydroxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-(3-cyano-6-hydroxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pyridin-2-ylpropanamide is N#Cc1c(NC(=O)CCc2ccccn2)sc2c1CCC(O)C2.
What is the InChIKey of N-(3-cyano-6-hydroxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pyridin-2-ylpropanamide?
The InChIKey is GBRMPNNEBBBVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c18-10-14-13-6-5-12(21)9-15(13)23-17(14)20-16(22)7-4-11-3-1-2-8-19-11/h1-3,8,12,21H,4-7,9H2,(H,20,22).
What are the key properties of N-(3-cyano-6-hydroxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pyridin-2-ylpropanamide?
N-(3-cyano-6-hydroxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pyridin-2-ylpropanamide has a molecular weight of 327.41 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-6-hydroxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 66942118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).