4-(5-benzyl-2,5-diazabicyclo[2.2.0]hexan-2-yl)thieno[2,3-c]pyridine-2-carboxamide

C19H18N4OS — CID 143138176

IUPAC4-(5-benzyl-2,5-diazabicyclo[2.2.0]hexan-2-yl)thieno[2,3-c]pyridine-2-carboxamide
SMILESNC(=O)c1cc2c(N3CC4C3CN4Cc3ccccc3)cncc2s1
InChIInChI=1S/C19H18N4OS/c20-19(24)17-6-13-14(7-21-8-18(13)25-17)23-11-15-16(23)10-22(15)9-12-4-2-1-3-5-12/h1-8,15-16H,9-11H2,(H2,20,24)
InChIKeyGKZJRJFYVZEKQO-UHFFFAOYSA-N
MW350.45 g/mol
LogP2.47
Rot. Bonds4

About 4-(5-benzyl-2,5-diazabicyclo[2.2.0]hexan-2-yl)thieno[2,3-c]pyridine-2-carboxamide

4-(5-benzyl-2,5-diazabicyclo[2.2.0]hexan-2-yl)thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 143138176) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is 4-(5-benzyl-2,5-diazabicyclo[2.2.0]hexan-2-yl)thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(5-benzyl-2,5-diazabicyclo[2.2.0]hexan-2-yl)thieno[2,3-c]pyridine-2-carboxamide
PubChem CID143138176
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC Name4-(5-benzyl-2,5-diazabicyclo[2.2.0]hexan-2-yl)thieno[2,3-c]pyridine-2-carboxamide
SMILESNC(=O)c1cc2c(N3CC4C3CN4Cc3ccccc3)cncc2s1
InChIInChI=1S/C19H18N4OS/c20-19(24)17-6-13-14(7-21-8-18(13)25-17)23-11-15-16(23)10-22(15)9-12-4-2-1-3-5-12/h1-8,15-16H,9-11H2,(H2,20,24)
InChIKeyGKZJRJFYVZEKQO-UHFFFAOYSA-N
XLogP2.47
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-benzyl-2,5-diazabicyclo[2.2.0]hexan-2-yl)thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-(5-benzyl-2,5-diazabicyclo[2.2.0]hexan-2-yl)thieno[2,3-c]pyridine-2-carboxamide (CID 143138176) is 4-(5-benzyl-2,5-diazabicyclo[2.2.0]hexan-2-yl)thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-(5-benzyl-2,5-diazabicyclo[2.2.0]hexan-2-yl)thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-(5-benzyl-2,5-diazabicyclo[2.2.0]hexan-2-yl)thieno[2,3-c]pyridine-2-carboxamide is NC(=O)c1cc2c(N3CC4C3CN4Cc3ccccc3)cncc2s1.
What is the InChIKey of 4-(5-benzyl-2,5-diazabicyclo[2.2.0]hexan-2-yl)thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is GKZJRJFYVZEKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c20-19(24)17-6-13-14(7-21-8-18(13)25-17)23-11-15-16(23)10-22(15)9-12-4-2-1-3-5-12/h1-8,15-16H,9-11H2,(H2,20,24).
What are the key properties of 4-(5-benzyl-2,5-diazabicyclo[2.2.0]hexan-2-yl)thieno[2,3-c]pyridine-2-carboxamide?
4-(5-benzyl-2,5-diazabicyclo[2.2.0]hexan-2-yl)thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 350.45 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-benzyl-2,5-diazabicyclo[2.2.0]hexan-2-yl)thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 143138176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).