6-[(5-ethyl-2-pyridinyl)methyl]-N-(oxolan-3-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C20H25N3O2S — CID 118764564

IUPAC6-[(5-ethyl-2-pyridinyl)methyl]-N-(oxolan-3-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCc1ccc(CN2CCc3c(C(=O)NC4CCOC4)csc3C2)nc1
InChIInChI=1S/C20H25N3O2S/c1-2-14-3-4-15(21-9-14)10-23-7-5-17-18(13-26-19(17)11-23)20(24)22-16-6-8-25-12-16/h3-4,9,13,16H,2,5-8,10-12H2,1H3,(H,22,24)
InChIKeyQQTWYVNXNBWRAT-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.78
Rot. Bonds5

About 6-[(5-ethyl-2-pyridinyl)methyl]-N-(oxolan-3-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

6-[(5-ethyl-2-pyridinyl)methyl]-N-(oxolan-3-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 118764564) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 6-[(5-ethyl-2-pyridinyl)methyl]-N-(oxolan-3-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-ethyl-2-pyridinyl)methyl]-N-(oxolan-3-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID118764564
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name6-[(5-ethyl-2-pyridinyl)methyl]-N-(oxolan-3-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCc1ccc(CN2CCc3c(C(=O)NC4CCOC4)csc3C2)nc1
InChIInChI=1S/C20H25N3O2S/c1-2-14-3-4-15(21-9-14)10-23-7-5-17-18(13-26-19(17)11-23)20(24)22-16-6-8-25-12-16/h3-4,9,13,16H,2,5-8,10-12H2,1H3,(H,22,24)
InChIKeyQQTWYVNXNBWRAT-UHFFFAOYSA-N
XLogP2.78
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[(5-ethyl-2-pyridinyl)methyl]-N-(oxolan-3-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide with MolForge

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Related Compounds

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CID 10318433
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CID 25265257
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CID 42606103
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CID 42606104
CID 42606104
CID 42606105
CID 42606105
CID 42606106
CID 42606106
CID 42606219
CID 42606219
CID 42606222
CID 42606222
CID 42606457
CID 42606457
CID 3241321
CID 3241321
CID 3242080
CID 3242080

Frequently Asked Questions

What is the IUPAC name of 6-[(5-ethyl-2-pyridinyl)methyl]-N-(oxolan-3-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 6-[(5-ethyl-2-pyridinyl)methyl]-N-(oxolan-3-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 118764564) is 6-[(5-ethyl-2-pyridinyl)methyl]-N-(oxolan-3-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(5-ethyl-2-pyridinyl)methyl]-N-(oxolan-3-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 6-[(5-ethyl-2-pyridinyl)methyl]-N-(oxolan-3-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CCc1ccc(CN2CCc3c(C(=O)NC4CCOC4)csc3C2)nc1.
What is the InChIKey of 6-[(5-ethyl-2-pyridinyl)methyl]-N-(oxolan-3-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is QQTWYVNXNBWRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-2-14-3-4-15(21-9-14)10-23-7-5-17-18(13-26-19(17)11-23)20(24)22-16-6-8-25-12-16/h3-4,9,13,16H,2,5-8,10-12H2,1H3,(H,22,24).
What are the key properties of 6-[(5-ethyl-2-pyridinyl)methyl]-N-(oxolan-3-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
6-[(5-ethyl-2-pyridinyl)methyl]-N-(oxolan-3-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-ethyl-2-pyridinyl)methyl]-N-(oxolan-3-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 118764564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).